3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one

C24H31N3O — CID 7201744

IUPAC3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
SMILESCCCCCN[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C24H31N3O/c1-4-7-10-17-25-21(6-3)23-26-22-12-9-8-11-20(22)24(28)27(23)19-15-13-18(5-2)14-16-19/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/t21-/m0/s1
InChIKeyCPIJULHKWCDZHW-NRFANRHFSA-N
MW377.53 g/mol
LogP5.18
Rot. Bonds9

About 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one

3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one (PubChem CID 7201744) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
PubChem CID7201744
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
SMILESCCCCCN[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C24H31N3O/c1-4-7-10-17-25-21(6-3)23-26-22-12-9-8-11-20(22)24(28)27(23)19-15-13-18(5-2)14-16-19/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/t21-/m0/s1
InChIKeyCPIJULHKWCDZHW-NRFANRHFSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylhexanamide
CID 42721726
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]octanamide
CID 42721895
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylpentanamide
CID 42721715
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one (CID 7201744) is 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one is CCCCCN[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one?
The InChIKey is CPIJULHKWCDZHW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O/c1-4-7-10-17-25-21(6-3)23-26-22-12-9-8-11-20(22)24(28)27(23)19-15-13-18(5-2)14-16-19/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/t21-/m0/s1.
What are the key properties of 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one?
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one has a molecular weight of 377.53 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 7201744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).