N-(1-aminopropan-2-yl)quinoline-6-carboxamide

C13H15N3O — CID 63730919

IUPACN-(1-aminopropan-2-yl)quinoline-6-carboxamide
SMILESCC(CN)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H15N3O/c1-9(8-14)16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeySZJCOUGTGCYWOM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.31
Rot. Bonds3

About N-(1-aminopropan-2-yl)quinoline-6-carboxamide

N-(1-aminopropan-2-yl)quinoline-6-carboxamide (PubChem CID 63730919) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)quinoline-6-carboxamide
PubChem CID63730919
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-aminopropan-2-yl)quinoline-6-carboxamide
SMILESCC(CN)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H15N3O/c1-9(8-14)16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeySZJCOUGTGCYWOM-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)quinoline-6-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)quinoline-6-carboxamide (CID 63730919) is N-(1-aminopropan-2-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)quinoline-6-carboxamide is CC(CN)NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(1-aminopropan-2-yl)quinoline-6-carboxamide?
The InChIKey is SZJCOUGTGCYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(8-14)16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8,14H2,1H3,(H,16,17).
What are the key properties of N-(1-aminopropan-2-yl)quinoline-6-carboxamide?
N-(1-aminopropan-2-yl)quinoline-6-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)quinoline-6-carboxamide is sourced from PubChem (CID 63730919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).