6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one

C16H14ClN3O — CID 651767

IUPAC6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-19-15-7-6-13(18)8-14(15)16(21)20(10)9-11-2-4-12(17)5-3-11/h2-8H,9,18H2,1H3
InChIKeyGOEWJXSDVMFQNY-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one

6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one (PubChem CID 651767) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one
PubChem CID651767
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-19-15-7-6-13(18)8-14(15)16(21)20(10)9-11-2-4-12(17)5-3-11/h2-8H,9,18H2,1H3
InChIKeyGOEWJXSDVMFQNY-UHFFFAOYSA-N
XLogP2.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Afloqualone
CID 2040
Mecloqualone
CID 9567
Ispinesib
CID 6851740
5-chloro-2-(3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl)-4(3H)-quinazolinone
CID 135444661
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
2-[(E)-2-(4-Chloro-phenyl)-vinyl]-3-methyl-3H-quinazolin-4-one
CID 5763301
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
CID 63201
6-Chloro-2-methyl-4(3H)-quinazolinone
CID 135451982
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
8-Chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]propyl}-3,4-dihydroquinazolin-4-one
CID 135515514
FR-255595
CID 135532443
8-Chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)propyl]-3,4-dihydroquinazolin-4-one
CID 135537658

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one?
The IUPAC name of 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one (CID 651767) is 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one?
The canonical SMILES for 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one is Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one?
The InChIKey is GOEWJXSDVMFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-19-15-7-6-13(18)8-14(15)16(21)20(10)9-11-2-4-12(17)5-3-11/h2-8H,9,18H2,1H3.
What are the key properties of 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one?
6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one has a molecular weight of 299.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(4-chlorophenyl)methyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 651767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).