N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide

C29H37N3O2 — CID 42716308

IUPACN-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
SMILESCCCCN(C(=O)CCC1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H37N3O2/c1-3-5-21-31(27(33)20-19-22-13-9-10-14-22)26(4-2)28-30-25-18-12-11-17-24(25)29(34)32(28)23-15-7-6-8-16-23/h6-8,11-12,15-18,22,26H,3-5,9-10,13-14,19-21H2,1-2H3
InChIKeyXCKXXZSUNAIVFJ-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.44
Rot. Bonds10

About N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide

N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide (PubChem CID 42716308) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide.

Molecular Properties

Compound NameN-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
PubChem CID42716308
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC NameN-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
SMILESCCCCN(C(=O)CCC1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H37N3O2/c1-3-5-21-31(27(33)20-19-22-13-9-10-14-22)26(4-2)28-30-25-18-12-11-17-24(25)29(34)32(28)23-15-7-6-8-16-23/h6-8,11-12,15-18,22,26H,3-5,9-10,13-14,19-21H2,1-2H3
InChIKeyXCKXXZSUNAIVFJ-UHFFFAOYSA-N
XLogP6.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
CID 5186912
3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide
CID 42728572
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide?
The IUPAC name of N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide (CID 42716308) is N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide.
What is the SMILES notation for N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide?
The canonical SMILES for N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide is CCCCN(C(=O)CCC1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide?
The InChIKey is XCKXXZSUNAIVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-3-5-21-31(27(33)20-19-22-13-9-10-14-22)26(4-2)28-30-25-18-12-11-17-24(25)29(34)32(28)23-15-7-6-8-16-23/h6-8,11-12,15-18,22,26H,3-5,9-10,13-14,19-21H2,1-2H3.
What are the key properties of N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide?
N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide has a molecular weight of 459.63 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide is sourced from PubChem (CID 42716308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).