N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide

C29H39N3O2 — CID 42719199

IUPACN-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
SMILESCCCCCCN(C(=O)CC(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C29H39N3O2/c1-6-8-9-12-18-31(27(33)19-21(3)4)26(7-2)28-30-25-17-11-10-16-24(25)29(34)32(28)23-15-13-14-22(5)20-23/h10-11,13-17,20-21,26H,6-9,12,18-19H2,1-5H3
InChIKeyAMBFWWMYSIOHOL-UHFFFAOYSA-N
MW461.65 g/mol
LogP6.60
Rot. Bonds11

About N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide

N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide (PubChem CID 42719199) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
PubChem CID42719199
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC NameN-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
SMILESCCCCCCN(C(=O)CC(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C29H39N3O2/c1-6-8-9-12-18-31(27(33)19-21(3)4)26(7-2)28-30-25-17-11-10-16-24(25)29(34)32(28)23-15-13-14-22(5)20-23/h10-11,13-17,20-21,26H,6-9,12,18-19H2,1-5H3
InChIKeyAMBFWWMYSIOHOL-UHFFFAOYSA-N
XLogP6.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 56.60
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-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
N-hexyl-3,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42719055
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
N-hexyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42719198
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-butyl-4-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3397481
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The IUPAC name of N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide (CID 42719199) is N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide.
What is the SMILES notation for N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The canonical SMILES for N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide is CCCCCCN(C(=O)CC(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The InChIKey is AMBFWWMYSIOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-6-8-9-12-18-31(27(33)19-21(3)4)26(7-2)28-30-25-17-11-10-16-24(25)29(34)32(28)23-15-13-14-22(5)20-23/h10-11,13-17,20-21,26H,6-9,12,18-19H2,1-5H3.
What are the key properties of N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide has a molecular weight of 461.65 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide is sourced from PubChem (CID 42719199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).