3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one

C22H18ClN3O — CID 22484847

IUPAC3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
SMILESNCc1cccc(Cn2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C22H18ClN3O/c23-18-9-10-19-20(12-18)25-21(17-7-2-1-3-8-17)26(22(19)27)14-16-6-4-5-15(11-16)13-24/h1-12H,13-14,24H2
InChIKeyFJFTZYYTCORAOD-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.22
Rot. Bonds4

About 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one

3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one (PubChem CID 22484847) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
PubChem CID22484847
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
SMILESNCc1cccc(Cn2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C22H18ClN3O/c23-18-9-10-19-20(12-18)25-21(17-7-2-1-3-8-17)26(22(19)27)14-16-6-4-5-15(11-16)13-24/h1-12H,13-14,24H2
InChIKeyFJFTZYYTCORAOD-UHFFFAOYSA-N
XLogP4.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(aminomethyl)phenyl]methyl]-6-chloro-2-(2-phenylethyl)quinazolin-4-one
CID 22484670
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
3-benzyl-7-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 46101952
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3-chlorophenyl)quinazolin-4-one
CID 22058136
[3-[4-oxo-3-[[3-[[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]methyl]phenyl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171348774
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-[(3-phenylphenyl)methyl]quinazolin-2-yl]-2-(dimethylamino)-2-oxoethyl]-4-methylbenzamide
CID 11227393
3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
CID 22609425

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one (CID 22484847) is 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one is NCc1cccc(Cn2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one?
The InChIKey is FJFTZYYTCORAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-9-10-19-20(12-18)25-21(17-7-2-1-3-8-17)26(22(19)27)14-16-6-4-5-15(11-16)13-24/h1-12H,13-14,24H2.
What are the key properties of 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one?
3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one is sourced from PubChem (CID 22484847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).