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

C15H13N3O2 — CID 71652488

IUPAC2-amino-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(N)nc3ccccc3c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)18-14(19)12-4-2-3-5-13(12)17-15(18)16/h2-9H,1H3,(H2,16,17)
InChIKeyXVWHGSIKTVUHFT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.98
Rot. Bonds2

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

2-amino-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 71652488) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID71652488
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-amino-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(N)nc3ccccc3c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)18-14(19)12-4-2-3-5-13(12)17-15(18)16/h2-9H,1H3,(H2,16,17)
InChIKeyXVWHGSIKTVUHFT-UHFFFAOYSA-N
XLogP1.98
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-amino-3-(4-methoxyphenyl)quinazolin-4-one (CID 71652488) is 2-amino-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-amino-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(N)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-amino-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is XVWHGSIKTVUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)18-14(19)12-4-2-3-5-13(12)17-15(18)16/h2-9H,1H3,(H2,16,17).
What are the key properties of 2-amino-3-(4-methoxyphenyl)quinazolin-4-one?
2-amino-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 71652488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).