(3-cyanocyclopentyl) quinoline-5-carboxylate

C16H14N2O2 — CID 75497503

IUPAC(3-cyanocyclopentyl) quinoline-5-carboxylate
SMILESN#CC1CCC(OC(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H14N2O2/c17-10-11-6-7-12(9-11)20-16(19)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9H2
InChIKeyYZGAAZZREQZWMC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds2

About (3-cyanocyclopentyl) quinoline-5-carboxylate

(3-cyanocyclopentyl) quinoline-5-carboxylate (PubChem CID 75497503) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-cyanocyclopentyl) quinoline-5-carboxylate.

Molecular Properties

Compound Name(3-cyanocyclopentyl) quinoline-5-carboxylate
PubChem CID75497503
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3-cyanocyclopentyl) quinoline-5-carboxylate
SMILESN#CC1CCC(OC(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H14N2O2/c17-10-11-6-7-12(9-11)20-16(19)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9H2
InChIKeyYZGAAZZREQZWMC-UHFFFAOYSA-N
XLogP3.08
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanocyclopentyl) 4-bromobenzoate
CID 71912025
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
CID 171941789
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
CID 171941788
N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
CID 102873955
quinoline-4-carbonyl cyanide
CID 119091066
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride
CID 70044127
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183

Frequently Asked Questions

What is the IUPAC name of (3-cyanocyclopentyl) quinoline-5-carboxylate?
The IUPAC name of (3-cyanocyclopentyl) quinoline-5-carboxylate (CID 75497503) is (3-cyanocyclopentyl) quinoline-5-carboxylate.
What is the SMILES notation for (3-cyanocyclopentyl) quinoline-5-carboxylate?
The canonical SMILES for (3-cyanocyclopentyl) quinoline-5-carboxylate is N#CC1CCC(OC(=O)c2cccc3ncccc23)C1.
What is the InChIKey of (3-cyanocyclopentyl) quinoline-5-carboxylate?
The InChIKey is YZGAAZZREQZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-10-11-6-7-12(9-11)20-16(19)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9H2.
What are the key properties of (3-cyanocyclopentyl) quinoline-5-carboxylate?
(3-cyanocyclopentyl) quinoline-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanocyclopentyl) quinoline-5-carboxylate is sourced from PubChem (CID 75497503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).