3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one

C17H16ClN3O — CID 66690616

IUPAC3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-11(19-2)16-20-15-6-4-3-5-14(15)17(22)21(16)13-9-7-12(18)8-10-13/h3-11,19H,1-2H3
InChIKeyJHQXWUUPCYSOGR-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.32
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 66690616) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID66690616
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-11(19-2)16-20-15-6-4-3-5-14(15)17(22)21(16)13-9-7-12(18)8-10-13/h3-11,19H,1-2H3
InChIKeyJHQXWUUPCYSOGR-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 22216138
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
3-(3-chloro-4-fluorophenyl)-2-[(1S)-1-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 7202003
8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 67073725
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
CID 86039228
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-(chloromethyl)benzenesulfonamide
CID 90952366
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (CID 66690616) is 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is JHQXWUUPCYSOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11(19-2)16-20-15-6-4-3-5-14(15)17(22)21(16)13-9-7-12(18)8-10-13/h3-11,19H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 313.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 66690616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).