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Chemical ID: 5828004

CCC1C(C(c2ccccc2N1C(=O)c3ccc(cc3)OC)Nc4ccccc4)C

Chemical ID:

5828004

Name [?]:

(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)-methanone

SMILES [?]:

CCC1C(C(c2ccccc2N1C(=O)c3ccc(cc3)OC)Nc4ccccc4)C

InChi [?]:

InChI=1/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,22,2,27,26,28,8,9,25,29,7,10,16,20,17,19,4,15,24,18,6,3,11,5,13,23,12,14,21/E:(6,7)(10,11)(14,15)(16,17)/rA:30cCCCCCCCCCCCNCOCCCCCCOCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s5;s23;s24;d25;s26;d27;d24s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	3

ZAP Information [?]

Total:	21.7124
Area:	0.0
Solvation:	21.7124
Coulombic:	0.0

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	400.513
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.77
LogP (Chemaxon):	5.3

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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