N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide

C16H14N2O2 — CID 9481673

IUPACN-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccco1
InChIInChI=1S/C16H14N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h2-11H,1H3,(H,17,19)/t11-/m0/s1
InChIKeyJSIQLUBEIYNGRW-NSHDSACASA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide (PubChem CID 9481673) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
PubChem CID9481673
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccco1
InChIInChI=1S/C16H14N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h2-11H,1H3,(H,17,19)/t11-/m0/s1
InChIKeyJSIQLUBEIYNGRW-NSHDSACASA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 51162742
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316387
N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 35069976
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide (CID 9481673) is N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide is C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is JSIQLUBEIYNGRW-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h2-11H,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 9481673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).