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

C28H37N3O2 — CID 42721417

IUPACN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCCC(=O)N(CC(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C28H37N3O2/c1-6-8-9-18-26(32)30(19-20(3)4)21(5)27-29-24-16-12-11-15-23(24)28(33)31(27)25-17-13-10-14-22(25)7-2/h10-17,20-21H,6-9,18-19H2,1-5H3
InChIKeyFGYYSZMHPMPDKE-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.07
Rot. Bonds10

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

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide (PubChem CID 42721417) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
PubChem CID42721417
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCCC(=O)N(CC(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC
InChIInChI=1S/C28H37N3O2/c1-6-8-9-18-26(32)30(19-20(3)4)21(5)27-29-24-16-12-11-15-23(24)28(33)31(27)25-17-13-10-14-22(25)7-2/h10-17,20-21H,6-9,18-19H2,1-5H3
InChIKeyFGYYSZMHPMPDKE-UHFFFAOYSA-N
XLogP6.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.07
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-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
CID 42720645
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)hexanamide
CID 3513014
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide?
The IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide (CID 42721417) is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide?
The canonical SMILES for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide is CCCCCC(=O)N(CC(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1CC.
What is the InChIKey of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide?
The InChIKey is FGYYSZMHPMPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-6-8-9-18-26(32)30(19-20(3)4)21(5)27-29-24-16-12-11-15-23(24)28(33)31(27)25-17-13-10-14-22(25)7-2/h10-17,20-21H,6-9,18-19H2,1-5H3.
What are the key properties of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide?
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide has a molecular weight of 447.62 g/mol, XLogP of 6.07, 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-(2-methylpropyl)hexanamide is sourced from PubChem (CID 42721417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).