3-(1-aminobutan-2-yl)-1H-quinolin-2-one

C13H16N2O — CID 116985056

IUPAC3-(1-aminobutan-2-yl)-1H-quinolin-2-one
SMILESCCC(CN)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-2-9(8-14)11-7-10-5-3-4-6-12(10)15-13(11)16/h3-7,9H,2,8,14H2,1H3,(H,15,16)
InChIKeyWCUYHFHSCDRXQN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.98
Rot. Bonds3

About 3-(1-aminobutan-2-yl)-1H-quinolin-2-one

3-(1-aminobutan-2-yl)-1H-quinolin-2-one (PubChem CID 116985056) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1-aminobutan-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-aminobutan-2-yl)-1H-quinolin-2-one
PubChem CID116985056
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(1-aminobutan-2-yl)-1H-quinolin-2-one
SMILESCCC(CN)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-2-9(8-14)11-7-10-5-3-4-6-12(10)15-13(11)16/h3-7,9H,2,8,14H2,1H3,(H,15,16)
InChIKeyWCUYHFHSCDRXQN-UHFFFAOYSA-N
XLogP1.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dichloromethyl)-1H-quinolin-2-one
CID 15208670
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119582950
hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 818159
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
3-ethyl-1H-quinoline-2-thione
CID 1445305
1-(1H-indol-2-yl)butan-2-amine
CID 54026892

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobutan-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1-aminobutan-2-yl)-1H-quinolin-2-one (CID 116985056) is 3-(1-aminobutan-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-aminobutan-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1-aminobutan-2-yl)-1H-quinolin-2-one is CCC(CN)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(1-aminobutan-2-yl)-1H-quinolin-2-one?
The InChIKey is WCUYHFHSCDRXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-9(8-14)11-7-10-5-3-4-6-12(10)15-13(11)16/h3-7,9H,2,8,14H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminobutan-2-yl)-1H-quinolin-2-one?
3-(1-aminobutan-2-yl)-1H-quinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobutan-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 116985056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).