4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide

C26H28N2O — CID 28631466

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-21-10-6-8-19(2)25(21)27-26(29)23-15-13-20(14-16-23)18-28-17-7-11-22-9-4-5-12-24(22)28/h4-6,8-10,12-16H,3,7,11,17-18H2,1-2H3,(H,27,29)
InChIKeyYERSYRBJFBVIIQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.76
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 28631466) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID28631466
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-21-10-6-8-19(2)25(21)27-26(29)23-15-13-20(14-16-23)18-28-17-7-11-22-9-4-5-12-24(22)28/h4-6,8-10,12-16H,3,7,11,17-18H2,1-2H3,(H,27,29)
InChIKeyYERSYRBJFBVIIQ-UHFFFAOYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 92646331
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide (CID 28631466) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is YERSYRBJFBVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-21-10-6-8-19(2)25(21)27-26(29)23-15-13-20(14-16-23)18-28-17-7-11-22-9-4-5-12-24(22)28/h4-6,8-10,12-16H,3,7,11,17-18H2,1-2H3,(H,27,29).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 28631466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).