N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide

C24H37N3O2 — CID 42713720

IUPACN-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C24H37N3O2/c1-5-9-11-16-22(28)26(18-10-6-2)21(8-4)23-25-20-15-13-12-14-19(20)24(29)27(23)17-7-3/h12-15,21H,5-11,16-18H2,1-4H3
InChIKeySXFBOVOLIJVXRQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP5.47
Rot. Bonds12

About N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide

N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide (PubChem CID 42713720) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide.

Molecular Properties

Compound NameN-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
PubChem CID42713720
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C24H37N3O2/c1-5-9-11-16-22(28)26(18-10-6-2)21(8-4)23-25-20-15-13-12-14-19(20)24(29)27(23)17-7-3/h12-15,21H,5-11,16-18H2,1-4H3
InChIKeySXFBOVOLIJVXRQ-UHFFFAOYSA-N
XLogP5.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]butanamide
CID 42727625
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide?
The IUPAC name of N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide (CID 42713720) is N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide.
What is the SMILES notation for N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide?
The canonical SMILES for N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide is CCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide?
The InChIKey is SXFBOVOLIJVXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-5-9-11-16-22(28)26(18-10-6-2)21(8-4)23-25-20-15-13-12-14-19(20)24(29)27(23)17-7-3/h12-15,21H,5-11,16-18H2,1-4H3.
What are the key properties of N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide?
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide has a molecular weight of 399.58 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide is sourced from PubChem (CID 42713720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).