N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide

C28H31N3O3 — CID 42719014

IUPACN-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
SMILESCCCCCCN(C(=O)c1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C28H31N3O3/c1-4-5-6-11-18-30(28(33)25-17-12-19-34-25)21(3)26-29-23-15-9-8-14-22(23)27(32)31(26)24-16-10-7-13-20(24)2/h7-10,12-17,19,21H,4-6,11,18H2,1-3H3
InChIKeyOANMWVQRUPKAFD-UHFFFAOYSA-N
MW457.57 g/mol
LogP6.07
Rot. Bonds9

About N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide

N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42719014) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
PubChem CID42719014
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
SMILESCCCCCCN(C(=O)c1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C28H31N3O3/c1-4-5-6-11-18-30(28(33)25-17-12-19-34-25)21(3)26-29-23-15-9-8-14-22(23)27(32)31(26)24-16-10-7-13-20(24)2/h7-10,12-17,19,21H,4-6,11,18H2,1-3H3
InChIKeyOANMWVQRUPKAFD-UHFFFAOYSA-N
XLogP6.07
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 56.07
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-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylfuran-2-carboxamide
CID 42720429
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylfuran-2-carboxamide
CID 42719459
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylfuran-2-carboxamide
CID 42723121
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-hexylbenzamide
CID 42720685
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide (CID 42719014) is N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide is CCCCCCN(C(=O)c1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is OANMWVQRUPKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-4-5-6-11-18-30(28(33)25-17-12-19-34-25)21(3)26-29-23-15-9-8-14-22(23)27(32)31(26)24-16-10-7-13-20(24)2/h7-10,12-17,19,21H,4-6,11,18H2,1-3H3.
What are the key properties of N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 6.07, 9 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-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42719014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).