N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide

C32H37N3O3 — CID 3299988

IUPACN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
SMILESCCCCCCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C32H37N3O3/c1-5-7-8-13-21-34(31(36)25-16-14-17-26(22-25)38-4)23(3)30-33-28-19-11-10-18-27(28)32(37)35(30)29-20-12-9-15-24(29)6-2/h9-12,14-20,22-23H,5-8,13,21H2,1-4H3
InChIKeyBLBIGXMGGBXCER-UHFFFAOYSA-N
MW511.67 g/mol
LogP6.74
Rot. Bonds11

About N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide (PubChem CID 3299988) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
PubChem CID3299988
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
SMILESCCCCCCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C32H37N3O3/c1-5-7-8-13-21-34(31(36)25-16-14-17-26(22-25)38-4)23(3)30-33-28-19-11-10-18-27(28)32(37)35(30)29-20-12-9-15-24(29)6-2/h9-12,14-20,22-23H,5-8,13,21H2,1-4H3
InChIKeyBLBIGXMGGBXCER-UHFFFAOYSA-N
XLogP6.74
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 ≤ 56.74
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-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
CID 5225389
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718230
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-pentylbenzamide
CID 16722317
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
3-bromo-N-butyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3937988
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methoxyphenyl)-1-(3-methylbutyl)urea
CID 3985604
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide
CID 42722542
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-butyl-N-[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methoxybenzamide
CID 92514732
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide?
The IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide (CID 3299988) is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide.
What is the SMILES notation for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide?
The canonical SMILES for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide is CCCCCCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC.
What is the InChIKey of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide?
The InChIKey is BLBIGXMGGBXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-5-7-8-13-21-34(31(36)25-16-14-17-26(22-25)38-4)23(3)30-33-28-19-11-10-18-27(28)32(37)35(30)29-20-12-9-15-24(29)6-2/h9-12,14-20,22-23H,5-8,13,21H2,1-4H3.
What are the key properties of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide?
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide has a molecular weight of 511.67 g/mol, XLogP of 6.74, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide is sourced from PubChem (CID 3299988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).