3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one

C20H22ClN3O — CID 7288970

IUPAC3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
SMILESCCCN[C@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c1-3-12-22-17(4-2)19-23-18-11-6-5-10-16(18)20(25)24(19)15-9-7-8-14(21)13-15/h5-11,13,17,22H,3-4,12H2,1-2H3/t17-/m1/s1
InChIKeyUJCPRHMOLMFFQL-QGZVFWFLSA-N
MW355.87 g/mol
LogP4.49
Rot. Bonds6

About 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one

3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one (PubChem CID 7288970) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
PubChem CID7288970
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
SMILESCCCN[C@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c1-3-12-22-17(4-2)19-23-18-11-6-5-10-16(18)20(25)24(19)15-9-7-8-14(21)13-15/h5-11,13,17,22H,3-4,12H2,1-2H3/t17-/m1/s1
InChIKeyUJCPRHMOLMFFQL-QGZVFWFLSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4996568
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
CID 7201744
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 7277003
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
3-tert-butyl-1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42717526
3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
CID 10758630
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
CID 1052024

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one (CID 7288970) is 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one is CCCN[C@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one?
The InChIKey is UJCPRHMOLMFFQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-3-12-22-17(4-2)19-23-18-11-6-5-10-16(18)20(25)24(19)15-9-7-8-14(21)13-15/h5-11,13,17,22H,3-4,12H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one?
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one has a molecular weight of 355.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 7288970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).