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Chemical ID: 5872565

CCCCCCNC(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)F

Chemical ID:

5872565

Name [?]:

3-(4-fluorophenyl)-2-(1-hexylaminopropyl)quinazolin-4-one

SMILES [?]:

CCCCCCNC(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)F

InChi [?]:

InChI=1/C23H28FN3O/c1-3-5-6-9-16-25-20(4-2)22-26-21-11-8-7-10-19(21)23(28)27(22)18-14-12-17(24)13-15-18/h7-8,10-15,20,25H,3-6,9,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,2,9,3,4,16,15,5,17,14,24,26,23,27,6,25,22,18,8,13,11,19,28,7,12,21,20/E:(12,13)(14,15)/rA:28cCCCCCCNCCCCNCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s8;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s11s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈FN₃O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2028
Area:	594.434
Solvation:	-2.65805
Coulombic:	-37.9356

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	381.486
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.46
LogP (Chemaxon):	5.23

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