N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

C19H22ClN3O2 — CID 119439408

IUPACN-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-20-12-15-5-3-4-6-16(15)22-19(24)14-7-9-17-13(11-14)8-10-18(23)21-17;/h3-7,9,11,20H,2,8,10,12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyALEOFKTVWNKYFT-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119439408) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
PubChem CID119439408
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-20-12-15-5-3-4-6-16(15)22-19(24)14-7-9-17-13(11-14)8-10-18(23)21-17;/h3-7,9,11,20H,2,8,10,12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyALEOFKTVWNKYFT-UHFFFAOYSA-N
XLogP3.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020641
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (CID 119439408) is N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is ALEOFKTVWNKYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-2-20-12-15-5-3-4-6-16(15)22-19(24)14-7-9-17-13(11-14)8-10-18(23)21-17;/h3-7,9,11,20H,2,8,10,12H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119439408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).