3-(quinoline-8-carbonyl)pentanenitrile

C15H14N2O — CID 63970339

IUPAC3-(quinoline-8-carbonyl)pentanenitrile
SMILESCCC(CC#N)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H14N2O/c1-2-11(8-9-16)15(18)13-7-3-5-12-6-4-10-17-14(12)13/h3-7,10-11H,2,8H2,1H3
InChIKeyOTTOKFQXBXEHFF-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.36
Rot. Bonds4

About 3-(quinoline-8-carbonyl)pentanenitrile

3-(quinoline-8-carbonyl)pentanenitrile (PubChem CID 63970339) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(quinoline-8-carbonyl)pentanenitrile.

Molecular Properties

Compound Name3-(quinoline-8-carbonyl)pentanenitrile
PubChem CID63970339
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-(quinoline-8-carbonyl)pentanenitrile
SMILESCCC(CC#N)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H14N2O/c1-2-11(8-9-16)15(18)13-7-3-5-12-6-4-10-17-14(12)13/h3-7,10-11H,2,8H2,1H3
InChIKeyOTTOKFQXBXEHFF-UHFFFAOYSA-N
XLogP3.36
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluorobenzoyl)pentanenitrile
CID 63668726
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
quinolin-8-yl 2-ethylhexanoate
CID 163430049

Frequently Asked Questions

What is the IUPAC name of 3-(quinoline-8-carbonyl)pentanenitrile?
The IUPAC name of 3-(quinoline-8-carbonyl)pentanenitrile (CID 63970339) is 3-(quinoline-8-carbonyl)pentanenitrile.
What is the SMILES notation for 3-(quinoline-8-carbonyl)pentanenitrile?
The canonical SMILES for 3-(quinoline-8-carbonyl)pentanenitrile is CCC(CC#N)C(=O)c1cccc2cccnc12.
What is the InChIKey of 3-(quinoline-8-carbonyl)pentanenitrile?
The InChIKey is OTTOKFQXBXEHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11(8-9-16)15(18)13-7-3-5-12-6-4-10-17-14(12)13/h3-7,10-11H,2,8H2,1H3.
What are the key properties of 3-(quinoline-8-carbonyl)pentanenitrile?
3-(quinoline-8-carbonyl)pentanenitrile has a molecular weight of 238.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoline-8-carbonyl)pentanenitrile is sourced from PubChem (CID 63970339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).