N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide

C21H22N2O3 — CID 78855120

IUPACN-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O3/c1-15-19(12-17-8-9-18(26-2)13-20(17)22-15)21(25)23(10-11-24)14-16-6-4-3-5-7-16/h3-9,12-13,24H,10-11,14H2,1-2H3
InChIKeyIIMIPSIIYAXOBO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.19
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 78855120) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID78855120
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O3/c1-15-19(12-17-8-9-18(26-2)13-20(17)22-15)21(25)23(10-11-24)14-16-6-4-3-5-7-16/h3-9,12-13,24H,10-11,14H2,1-2H3
InChIKeyIIMIPSIIYAXOBO-UHFFFAOYSA-N
XLogP3.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
CID 78865370
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15997237
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 3229764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide (CID 78855120) is N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is IIMIPSIIYAXOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-19(12-17-8-9-18(26-2)13-20(17)22-15)21(25)23(10-11-24)14-16-6-4-3-5-7-16/h3-9,12-13,24H,10-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 78855120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).