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

C26H21N3O — CID 92912507

IUPAC2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C\c2cn(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C26H21N3O/c1-18-9-3-7-13-23(18)29-25(27-22-12-6-4-11-21(22)26(29)30)16-15-19-17-28(2)24-14-8-5-10-20(19)24/h3-17H,1-2H3/b16-15-
InChIKeySADUGYGABRAXEK-NXVVXOECSA-N
MW391.47 g/mol
LogP5.36
Rot. Bonds3

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

2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 92912507) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID92912507
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C\c2cn(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C26H21N3O/c1-18-9-3-7-13-23(18)29-25(27-22-12-6-4-11-21(22)26(29)30)16-15-19-17-28(2)24-14-8-5-10-20(19)24/h3-17H,1-2H3/b16-15-
InChIKeySADUGYGABRAXEK-NXVVXOECSA-N
XLogP5.36
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 137092663
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966945
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3767381
N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide
CID 3100933
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
6-chloro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362976
6-iodo-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 6178366

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 92912507) is 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(/C=C\c2cn(C)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is SADUGYGABRAXEK-NXVVXOECSA-N. The full InChI is InChI=1S/C26H21N3O/c1-18-9-3-7-13-23(18)29-25(27-22-12-6-4-11-21(22)26(29)30)16-15-19-17-28(2)24-14-8-5-10-20(19)24/h3-17H,1-2H3/b16-15-.
What are the key properties of 2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 391.47 g/mol, XLogP of 5.36, 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-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 92912507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).