N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119591704

IUPACN-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc2c([nH]c1=O)CCCC2)C1CCCCC1
InChIInChI=1S/C18H27N3O2.ClH/c19-11-16(12-6-2-1-3-7-12)21-18(23)14-10-13-8-4-5-9-15(13)20-17(14)22;/h10,12,16H,1-9,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyBXMXLOHLPCRACY-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.31
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119591704) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119591704
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc2c([nH]c1=O)CCCC2)C1CCCCC1
InChIInChI=1S/C18H27N3O2.ClH/c19-11-16(12-6-2-1-3-7-12)21-18(23)14-10-13-8-4-5-9-15(13)20-17(14)22;/h10,12,16H,1-9,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyBXMXLOHLPCRACY-UHFFFAOYSA-N
XLogP2.31
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
(2S,3S)-3-methyl-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]pentanoic acid
CID 119194079
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
(E)-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]hex-4-enoic acid
CID 120692535
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120599765

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (CID 119591704) is N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cc2c([nH]c1=O)CCCC2)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is BXMXLOHLPCRACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c19-11-16(12-6-2-1-3-7-12)21-18(23)14-10-13-8-4-5-9-15(13)20-17(14)22;/h10,12,16H,1-9,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119591704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).