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

C27H35N3O2 — CID 42721421

IUPACN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C27H35N3O2/c1-5-8-13-19-29(25(31)14-6-2)20(4)26-28-23-17-11-10-16-22(23)27(32)30(26)24-18-12-9-15-21(24)7-3/h9-12,15-18,20H,5-8,13-14,19H2,1-4H3
InChIKeyAQBFRUMJTPZMDK-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.83
Rot. Bonds10

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

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide (PubChem CID 42721421) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
PubChem CID42721421
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C27H35N3O2/c1-5-8-13-19-29(25(31)14-6-2)20(4)26-28-23-17-11-10-16-22(23)27(32)30(26)24-18-12-9-15-21(24)7-3/h9-12,15-18,20H,5-8,13-14,19H2,1-4H3
InChIKeyAQBFRUMJTPZMDK-UHFFFAOYSA-N
XLogP5.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.83
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-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
CID 42721417
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide?
The IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide (CID 42721421) is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide.
What is the SMILES notation for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide?
The canonical SMILES for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide is CCCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC.
What is the InChIKey of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide?
The InChIKey is AQBFRUMJTPZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-5-8-13-19-29(25(31)14-6-2)20(4)26-28-23-17-11-10-16-22(23)27(32)30(26)24-18-12-9-15-21(24)7-3/h9-12,15-18,20H,5-8,13-14,19H2,1-4H3.
What are the key properties of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide?
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide has a molecular weight of 433.60 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide is sourced from PubChem (CID 42721421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).