1-(quinoline-6-carbonyl)piperazine-2-carbonitrile

C15H14N4O — CID 79086471

IUPAC1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H14N4O/c16-9-13-10-17-6-7-19(13)15(20)12-3-4-14-11(8-12)2-1-5-18-14/h1-5,8,13,17H,6-7,10H2
InChIKeyYHZCKZVVNCBMQK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.17
Rot. Bonds1

About 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile

1-(quinoline-6-carbonyl)piperazine-2-carbonitrile (PubChem CID 79086471) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
PubChem CID79086471
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H14N4O/c16-9-13-10-17-6-7-19(13)15(20)12-3-4-14-11(8-12)2-1-5-18-14/h1-5,8,13,17H,6-7,10H2
InChIKeyYHZCKZVVNCBMQK-UHFFFAOYSA-N
XLogP1.17
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
CID 79086115
1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
CID 79086365
1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
CID 79086360
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925

Frequently Asked Questions

What is the IUPAC name of 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile (CID 79086471) is 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile?
The InChIKey is YHZCKZVVNCBMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-13-10-17-6-7-19(13)15(20)12-3-4-14-11(8-12)2-1-5-18-14/h1-5,8,13,17H,6-7,10H2.
What are the key properties of 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile?
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoline-6-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).