3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one

C18H18ClN3O — CID 10758630

IUPAC3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
SMILESCCN(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-3-21(4-2)18-20-16-11-6-5-10-15(16)17(23)22(18)14-9-7-8-13(19)12-14/h5-12H,3-4H2,1-2H3
InChIKeyCZEZKALUKYRWLV-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.89
Rot. Bonds4

About 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one

3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one (PubChem CID 10758630) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
PubChem CID10758630
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
SMILESCCN(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-3-21(4-2)18-20-16-11-6-5-10-15(16)17(23)22(18)14-9-7-8-13(19)12-14/h5-12H,3-4H2,1-2H3
InChIKeyCZEZKALUKYRWLV-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 7277003
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
3-tert-butyl-1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42717526
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one (CID 10758630) is 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one is CCN(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one?
The InChIKey is CZEZKALUKYRWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-21(4-2)18-20-16-11-6-5-10-15(16)17(23)22(18)14-9-7-8-13(19)12-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one?
3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one has a molecular weight of 327.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one is sourced from PubChem (CID 10758630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).