N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide

C23H35N3O2 — CID 42712034

IUPACN-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C23H35N3O2/c1-5-9-11-16-21(27)26(17-10-6-2)20(7-3)22-24-19-15-13-12-14-18(19)23(28)25(22)8-4/h12-15,20H,5-11,16-17H2,1-4H3
InChIKeyCBZZANDVAYRZOG-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.08
Rot. Bonds11

About N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide

N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide (PubChem CID 42712034) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide.

Molecular Properties

Compound NameN-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
PubChem CID42712034
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C23H35N3O2/c1-5-9-11-16-21(27)26(17-10-6-2)20(7-3)22-24-19-15-13-12-14-18(19)23(28)25(22)8-4/h12-15,20H,5-11,16-17H2,1-4H3
InChIKeyCBZZANDVAYRZOG-UHFFFAOYSA-N
XLogP5.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The IUPAC name of N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide (CID 42712034) is N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide.
What is the SMILES notation for N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The canonical SMILES for N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide is CCCCCC(=O)N(CCCC)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The InChIKey is CBZZANDVAYRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-9-11-16-21(27)26(17-10-6-2)20(7-3)22-24-19-15-13-12-14-18(19)23(28)25(22)8-4/h12-15,20H,5-11,16-17H2,1-4H3.
What are the key properties of N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide has a molecular weight of 385.55 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide is sourced from PubChem (CID 42712034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).