N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119569730

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-16(4-2,10-17)19-15(21)12-5-7-13-11(9-12)6-8-14(20)18-13;/h5,7,9H,3-4,6,8,10,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyHSJXCDYYMRSHJR-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.24
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119569730) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
PubChem CID119569730
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-16(4-2,10-17)19-15(21)12-5-7-13-11(9-12)6-8-14(20)18-13;/h5,7,9H,3-4,6,8,10,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyHSJXCDYYMRSHJR-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119568654
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119568778
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119204206
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737542
N-[(E)-4-aminobut-2-enyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711711
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-(4-methylpiperidin-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711737

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (CID 119569730) is N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is HSJXCDYYMRSHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-3-16(4-2,10-17)19-15(21)12-5-7-13-11(9-12)6-8-14(20)18-13;/h5,7,9H,3-4,6,8,10,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119569730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).