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Chemical ID: 4507780

Chemical ID:

4507780

Name [?]:

3-(3-methoxyphenyl)-2-methyl-quinazolin-4-one

SMILES [?]:

Cc1nc2ccccc2c(=O)n1c3cccc(c3)OC

InChi [?]:

InChI=1/C16H14N2O2/c1-11-17-15-9-4-3-8-14(15)16(19)18(11)12-6-5-7-13(10-12)20-2/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,7,6,15,14,16,8,5,18,2,13,17,9,4,10,3,12,11,19/rA:20nCCNCCCCCCCONCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.06616
Area:	443.393
Solvation:	-3.01867
Coulombic:	-29.8067

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	266.295
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.56
LogP (Chemaxon):	2.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value