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

C21H17N3O2 — CID 134956314

IUPAC3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C21H17N3O2/c1-26-19-14-8-6-12-17(19)20-22-18-13-7-5-11-16(18)21(25)24(20)23-15-9-3-2-4-10-15/h2-14,23H,1H3
InChIKeyREVSWOFITRWPRG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.95
Rot. Bonds4

About 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one

3-anilino-2-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 134956314) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
PubChem CID134956314
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C21H17N3O2/c1-26-19-14-8-6-12-17(19)20-22-18-13-7-5-11-16(18)21(25)24(20)23-15-9-3-2-4-10-15/h2-14,23H,1H3
InChIKeyREVSWOFITRWPRG-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
CID 24987957
3-anilino-2-chloroquinazolin-4-one
CID 141230823
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23768429
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
CID 155671994
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 23905907
3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one
CID 11266888
3-[(2,3-dimethoxyphenyl)methylamino]-2-thiophen-2-ylquinazolin-4-one
CID 23962291
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
3-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-pyridin-4-ylquinazolin-4-one
CID 23992350

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one (CID 134956314) is 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is REVSWOFITRWPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-19-14-8-6-12-17(19)20-22-18-13-7-5-11-16(18)21(25)24(20)23-15-9-3-2-4-10-15/h2-14,23H,1H3.
What are the key properties of 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one?
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 134956314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).