N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 120599765

IUPACN-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10-8-12(6-7-17-10)18-15(20)13-9-11-4-2-3-5-14(11)19-16(13)21;/h9-10,12,17H,2-8H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFFWFBYOJHXWNTH-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.55
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 120599765) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID120599765
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10-8-12(6-7-17-10)18-15(20)13-9-11-4-2-3-5-14(11)19-16(13)21;/h9-10,12,17H,2-8H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFFWFBYOJHXWNTH-UHFFFAOYSA-N
XLogP1.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778
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CID 120600731
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 136526903
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119591704
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 155959712

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (CID 120599765) is N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is CC1CC(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is FFWFBYOJHXWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-10-8-12(6-7-17-10)18-15(20)13-9-11-4-2-3-5-14(11)19-16(13)21;/h9-10,12,17H,2-8H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 120599765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).