2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

C27H23N3O — CID 92912509

IUPAC2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O/c1-18-10-4-8-14-24(18)30-26(28-23-13-7-5-12-22(23)27(30)31)17-16-20-19(2)29(3)25-15-9-6-11-21(20)25/h4-17H,1-3H3/b17-16-
InChIKeyLQJAZUGLHOAARY-MSUUIHNZSA-N
MW405.50 g/mol
LogP5.66
Rot. Bonds3

About 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 92912509) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID92912509
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O/c1-18-10-4-8-14-24(18)30-26(28-23-13-7-5-12-22(23)27(30)31)17-16-20-19(2)29(3)25-15-9-6-11-21(20)25/h4-17H,1-3H3/b17-16-
InChIKeyLQJAZUGLHOAARY-MSUUIHNZSA-N
XLogP5.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912507
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240
2-[2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 4274684
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
6-iodo-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 6178366
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-[2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4274749
2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 137092663
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2880243

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 92912509) is 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is LQJAZUGLHOAARY-MSUUIHNZSA-N. The full InChI is InChI=1S/C27H23N3O/c1-18-10-4-8-14-24(18)30-26(28-23-13-7-5-12-22(23)27(30)31)17-16-20-19(2)29(3)25-15-9-6-11-21(20)25/h4-17H,1-3H3/b17-16-.
What are the key properties of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 405.50 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 92912509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).