N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide

C32H37N3O3 — CID 4545425

IUPACN-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
SMILESCCCCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C32H37N3O3/c1-5-7-8-13-22-34(31(36)26-15-10-9-14-23(26)3)29(6-2)30-33-28-17-12-11-16-27(28)32(37)35(30)24-18-20-25(38-4)21-19-24/h9-12,14-21,29H,5-8,13,22H2,1-4H3
InChIKeyLHCZFAABGPIWHX-UHFFFAOYSA-N
MW511.67 g/mol
LogP6.88
Rot. Bonds11

About N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide

N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide (PubChem CID 4545425) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
PubChem CID4545425
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC NameN-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
SMILESCCCCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C32H37N3O3/c1-5-7-8-13-22-34(31(36)26-15-10-9-14-23(26)3)29(6-2)30-33-28-17-12-11-16-27(28)32(37)35(30)24-18-20-25(38-4)21-19-24/h9-12,14-21,29H,5-8,13,22H2,1-4H3
InChIKeyLHCZFAABGPIWHX-UHFFFAOYSA-N
XLogP6.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-methylbenzamide
CID 42718906
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxybenzamide
CID 3891922
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexyl-3-(4-methoxyphenyl)urea
CID 42719566
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2,2-dimethylpropanamide
CID 42717165
3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 42727836
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)-1-pentylurea
CID 4316745

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide?
The IUPAC name of N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide (CID 4545425) is N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide.
What is the SMILES notation for N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide?
The canonical SMILES for N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide is CCCCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide?
The InChIKey is LHCZFAABGPIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-5-7-8-13-22-34(31(36)26-15-10-9-14-23(26)3)29(6-2)30-33-28-17-12-11-16-27(28)32(37)35(30)24-18-20-25(38-4)21-19-24/h9-12,14-21,29H,5-8,13,22H2,1-4H3.
What are the key properties of N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide?
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide has a molecular weight of 511.67 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide is sourced from PubChem (CID 4545425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).