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Chemical ID: 4160102

CCOC(=O)c1cnc2ccc(cc2c1Nc3ccc(cc3)Nc4ccccc4)F

Chemical ID:

4160102

Name [?]:

ethyl 4-(4-anilinophenyl)amino-6-fluoro-quinoline-3-carboxylate

SMILES [?]:

CCOC(=O)c1cnc2ccc(cc2c1Nc3ccc(cc3)Nc4ccccc4)F

InChi [?]:

InChI=1/C24H20FN3O2/c1-2-30-24(29)21-15-26-22-13-8-16(25)14-20(22)23(21)28-19-11-9-18(10-12-19)27-17-6-4-3-5-7-17/h3-15,27H,2H2,1H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,27,26,28,25,29,11,19,21,18,22,10,13,7,12,24,20,17,14,6,9,15,4,30,8,23,16,5,3/E:(4,5)(6,7)(9,10)(11,12)/rA:30nCCOCOCCNCCCCCCCNCCCCCCNCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀FN₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8021
Area:	615.782
Solvation:	-3.59249
Coulombic:	-51.8539

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	401.433
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.5
LogP (Chemaxon):	5.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value