N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

C18H23ClN4O3 — CID 119469697

IUPACN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H22N4O3.ClH/c19-9-12-5-3-4-8-22(12)16(23)11-21-18(25)14-10-20-15-7-2-1-6-13(15)17(14)24;/h1-2,6-7,10,12H,3-5,8-9,11,19H2,(H,20,24)(H,21,25);1H
InChIKeyOILSMIHKPNXKLX-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.02
Rot. Bonds4

About N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119469697) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119469697
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H22N4O3.ClH/c19-9-12-5-3-4-8-22(12)16(23)11-21-18(25)14-10-20-15-7-2-1-6-13(15)17(14)24;/h1-2,6-7,10,12H,3-5,8-9,11,19H2,(H,20,24)(H,21,25);1H
InChIKeyOILSMIHKPNXKLX-UHFFFAOYSA-N
XLogP1.02
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119664601
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
CID 95581953
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55790883
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 119467092

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 119469697) is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is Cl.NCC1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is OILSMIHKPNXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c19-9-12-5-3-4-8-22(12)16(23)11-21-18(25)14-10-20-15-7-2-1-6-13(15)17(14)24;/h1-2,6-7,10,12H,3-5,8-9,11,19H2,(H,20,24)(H,21,25);1H.
What are the key properties of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).