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

C14H19N3O2 — CID 103806261

IUPACN-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(15)6-7-16-14(19)11-2-4-12-10(8-11)3-5-13(18)17-12/h2,4,8-9H,3,5-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKAHCDADJFCWSH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.04
Rot. Bonds4

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

N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 103806261) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID103806261
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(15)6-7-16-14(19)11-2-4-12-10(8-11)3-5-13(18)17-12/h2,4,8-9H,3,5-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKAHCDADJFCWSH-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
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-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
N-(4-methylpiperidin-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711737
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 103806261) is N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(N)CCNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is LKAHCDADJFCWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(15)6-7-16-14(19)11-2-4-12-10(8-11)3-5-13(18)17-12/h2,4,8-9H,3,5-7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 103806261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).