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

C23H20ClN3O — CID 4266946

IUPAC2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
SMILESCC(NCc1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O/c1-16(25-15-17-7-3-2-4-8-17)22-26-21-10-6-5-9-20(21)23(28)27(22)19-13-11-18(24)12-14-19/h2-14,16,25H,15H2,1H3
InChIKeyPJCHTOAXDICAAO-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.89
Rot. Bonds5

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

2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one (PubChem CID 4266946) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
PubChem CID4266946
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
SMILESCC(NCc1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O/c1-16(25-15-17-7-3-2-4-8-17)22-26-21-10-6-5-9-20(21)23(28)27(22)19-13-11-18(24)12-14-19/h2-14,16,25H,15H2,1H3
InChIKeyPJCHTOAXDICAAO-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.89
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
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 3997986
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
[(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
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
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 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one?
The IUPAC name of 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one (CID 4266946) is 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one is CC(NCc1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one?
The InChIKey is PJCHTOAXDICAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16(25-15-17-7-3-2-4-8-17)22-26-21-10-6-5-9-20(21)23(28)27(22)19-13-11-18(24)12-14-19/h2-14,16,25H,15H2,1H3.
What are the key properties of 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one?
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one has a molecular weight of 389.89 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 4266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).