2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one

C22H18ClN3O — CID 22216138

IUPAC2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
SMILESCc1ccccc1C(N)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c1-14-6-2-3-7-17(14)20(24)21-25-19-9-5-4-8-18(19)22(27)26(21)16-12-10-15(23)11-13-16/h2-13,20H,24H2,1H3
InChIKeyQBDDFJGTHIYBJJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.40
Rot. Bonds3

About 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one

2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one (PubChem CID 22216138) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
PubChem CID22216138
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
SMILESCc1ccccc1C(N)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c1-14-6-2-3-7-17(14)20(24)21-25-19-9-5-4-8-18(19)22(27)26(21)16-12-10-15(23)11-13-16/h2-13,20H,24H2,1H3
InChIKeyQBDDFJGTHIYBJJ-UHFFFAOYSA-N
XLogP4.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
CID 1052024
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one
CID 577513
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
CID 86039228
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42715795
3-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)quinazolin-4-one
CID 11120872

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one?
The IUPAC name of 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one (CID 22216138) is 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one is Cc1ccccc1C(N)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one?
The InChIKey is QBDDFJGTHIYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-6-2-3-7-17(14)20(24)21-25-19-9-5-4-8-18(19)22(27)26(21)16-12-10-15(23)11-13-16/h2-13,20H,24H2,1H3.
What are the key properties of 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one?
2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 22216138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).