3-amino-2-phenylquinazolin-4-one

C14H11N3O — CID 722876

IUPAC3-amino-2-phenylquinazolin-4-one
SMILESNn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C14H11N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2
InChIKeyYKBACEIGOHYXAC-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.78
Rot. Bonds1

About 3-amino-2-phenylquinazolin-4-one

3-amino-2-phenylquinazolin-4-one (PubChem CID 722876) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-phenylquinazolin-4-one
PubChem CID722876
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-amino-2-phenylquinazolin-4-one
SMILESNn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C14H11N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2
InChIKeyYKBACEIGOHYXAC-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
2-Methyl-4(3H)-quinazolinone
CID 135400457
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-phenyl-3H-quinazolin-4-one
CID 785275
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
Arborine
CID 63123
Glycosminine
CID 135426527
2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One
CID 135416131
2-(4-Bromophenyl)-3,4-Dihydroquinazolin-4-One
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylquinazolin-4-one?
The IUPAC name of 3-amino-2-phenylquinazolin-4-one (CID 722876) is 3-amino-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-amino-2-phenylquinazolin-4-one?
The canonical SMILES for 3-amino-2-phenylquinazolin-4-one is Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-phenylquinazolin-4-one?
The InChIKey is YKBACEIGOHYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2.
What are the key properties of 3-amino-2-phenylquinazolin-4-one?
3-amino-2-phenylquinazolin-4-one has a molecular weight of 237.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylquinazolin-4-one is sourced from PubChem (CID 722876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).