N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C14H19N3O2 — CID 115271606

IUPACN-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(19)11-2-4-12-10(6-11)3-5-13(18)17-12/h2,4,6,9H,3,5,7-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAGOIFCFMGLHAPZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.90
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 115271606) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID115271606
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(19)11-2-4-12-10(6-11)3-5-13(18)17-12/h2,4,6,9H,3,5,7-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAGOIFCFMGLHAPZ-UHFFFAOYSA-N
XLogP0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 126767321
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[(E)-4-aminobut-2-enyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711711
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86860597
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
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-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 115271606) is N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(CN)CNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is AGOIFCFMGLHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(19)11-2-4-12-10(6-11)3-5-13(18)17-12/h2,4,6,9H,3,5,7-8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 115271606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).