2-quinolin-3-ylbutanamide

C13H14N2O — CID 154121490

IUPAC2-quinolin-3-ylbutanamide
SMILESCCC(C(N)=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H14N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h3-8,11H,2H2,1H3,(H2,14,16)
InChIKeyQEFOKVKWFOYBPO-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.21
Rot. Bonds3

About 2-quinolin-3-ylbutanamide

2-quinolin-3-ylbutanamide (PubChem CID 154121490) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-quinolin-3-ylbutanamide.

Molecular Properties

Compound Name2-quinolin-3-ylbutanamide
PubChem CID154121490
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-quinolin-3-ylbutanamide
SMILESCCC(C(N)=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H14N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h3-8,11H,2H2,1H3,(H2,14,16)
InChIKeyQEFOKVKWFOYBPO-UHFFFAOYSA-N
XLogP2.21
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-quinolin-3-ylphenyl)butanamide
CID 66578057
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
1-quinolin-3-ylbutan-1-ol
CID 60924193
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275
(2S)-3-[(2-aminoacetyl)amino]-2-quinolin-3-ylpropanoic acid;dihydrochloride
CID 70246118
2-ethoxy-1-quinolin-3-ylbutan-1-amine
CID 116716202
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
3-(4-chloropentan-2-yl)quinoline
CID 64721460
1-quinolin-3-ylbutylhydrazine
CID 105202157
fluoro(quinolin-3-yl)methanol
CID 163892772
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
CID 70246115

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylbutanamide?
The IUPAC name of 2-quinolin-3-ylbutanamide (CID 154121490) is 2-quinolin-3-ylbutanamide.
What is the SMILES notation for 2-quinolin-3-ylbutanamide?
The canonical SMILES for 2-quinolin-3-ylbutanamide is CCC(C(N)=O)c1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-ylbutanamide?
The InChIKey is QEFOKVKWFOYBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h3-8,11H,2H2,1H3,(H2,14,16).
What are the key properties of 2-quinolin-3-ylbutanamide?
2-quinolin-3-ylbutanamide has a molecular weight of 214.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylbutanamide is sourced from PubChem (CID 154121490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).