6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one

C17H14N2O2 — CID 135579769

IUPAC6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-21-13-8-9-15-14(11-13)17(20)19-16(18-15)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/b10-7+
InChIKeyJEDJGCJQSFQCNR-JXMROGBWSA-N
MW278.31 g/mol
LogP3.10
Rot. Bonds3

About 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one

6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one (PubChem CID 135579769) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
PubChem CID135579769
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-21-13-8-9-15-14(11-13)17(20)19-16(18-15)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/b10-7+
InChIKeyJEDJGCJQSFQCNR-JXMROGBWSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
6-Methoxy-2-phenyl-4-quinolone
CID 124348
8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
Yil781
CID 23631116
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135417274
8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135513721
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one (CID 135579769) is 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one is COc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The InChIKey is JEDJGCJQSFQCNR-JXMROGBWSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-13-8-9-15-14(11-13)17(20)19-16(18-15)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/b10-7+.
What are the key properties of 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135579769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).