2-anilino-3H-quinazolin-4-one

C14H11N3O — CID 135456660

IUPAC2-anilino-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C14H11N3O/c18-13-11-8-4-5-9-12(11)16-14(17-13)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17,18)
InChIKeyRACLRJZSLQLCFA-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.67
Rot. Bonds2

About 2-anilino-3H-quinazolin-4-one

2-anilino-3H-quinazolin-4-one (PubChem CID 135456660) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-anilino-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-anilino-3H-quinazolin-4-one
PubChem CID135456660
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-anilino-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C14H11N3O/c18-13-11-8-4-5-9-12(11)16-14(17-13)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17,18)
InChIKeyRACLRJZSLQLCFA-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methaqualone
CID 6292
Quinazolinedione
CID 64048
4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
N'-Phenyl-N-benzoylthiourea
CID 728148
2-Mercapto-4(3H)-quinazolinone
CID 683940
2-Amino-N-phenylbenzamide
CID 78142

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3H-quinazolin-4-one?
The IUPAC name of 2-anilino-3H-quinazolin-4-one (CID 135456660) is 2-anilino-3H-quinazolin-4-one.
What is the SMILES notation for 2-anilino-3H-quinazolin-4-one?
The canonical SMILES for 2-anilino-3H-quinazolin-4-one is O=c1[nH]c(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilino-3H-quinazolin-4-one?
The InChIKey is RACLRJZSLQLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-11-8-4-5-9-12(11)16-14(17-13)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17,18).
What are the key properties of 2-anilino-3H-quinazolin-4-one?
2-anilino-3H-quinazolin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3H-quinazolin-4-one is sourced from PubChem (CID 135456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).