2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide

C24H28N2O2 — CID 164678677

IUPAC2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide
SMILESCCCCCC(C)Oc1ccccc1C(=O)Nc1cc(C)cc2cccnc12
InChIInChI=1S/C24H28N2O2/c1-4-5-6-10-18(3)28-22-13-8-7-12-20(22)24(27)26-21-16-17(2)15-19-11-9-14-25-23(19)21/h7-9,11-16,18H,4-6,10H2,1-3H3,(H,26,27)
InChIKeyAPZZKLOXMSWHPQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.14
Rot. Bonds8

About 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide

2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide (PubChem CID 164678677) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide
PubChem CID164678677
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide
SMILESCCCCCC(C)Oc1ccccc1C(=O)Nc1cc(C)cc2cccnc12
InChIInChI=1S/C24H28N2O2/c1-4-5-6-10-18(3)28-22-13-8-7-12-20(22)24(27)26-21-16-17(2)15-19-11-9-14-25-23(19)21/h7-9,11-16,18H,4-6,10H2,1-3H3,(H,26,27)
InChIKeyAPZZKLOXMSWHPQ-UHFFFAOYSA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
N-(2-methylphenyl)-2-pentan-2-yloxybenzamide
CID 175710729
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
1-(2-heptan-2-yloxyphenyl)prop-2-yn-1-one
CID 89332847
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
5-methyl-N-(6-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 147349053
N-(6-methylquinolin-8-yl)-2-phenoxyacetamide
CID 110715572
7-(diethylamino)-4-methyl-N-(6-methylquinolin-8-yl)heptanamide
CID 163526669
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
CID 164755077
bis(2-octan-2-yloxyphenyl) benzene-1,2-dicarboxylate
CID 175055883

Frequently Asked Questions

What is the IUPAC name of 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide?
The IUPAC name of 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide (CID 164678677) is 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide.
What is the SMILES notation for 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide?
The canonical SMILES for 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide is CCCCCC(C)Oc1ccccc1C(=O)Nc1cc(C)cc2cccnc12.
What is the InChIKey of 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide?
The InChIKey is APZZKLOXMSWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-5-6-10-18(3)28-22-13-8-7-12-20(22)24(27)26-21-16-17(2)15-19-11-9-14-25-23(19)21/h7-9,11-16,18H,4-6,10H2,1-3H3,(H,26,27).
What are the key properties of 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide?
2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-2-yloxy-N-(6-methylquinolin-8-yl)benzamide is sourced from PubChem (CID 164678677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).