8-piperazin-1-ylquinoline-3-carboxamide

C14H16N4O — CID 154407057

IUPAC8-piperazin-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N4O/c15-14(19)11-8-10-2-1-3-12(13(10)17-9-11)18-6-4-16-5-7-18/h1-3,8-9,16H,4-7H2,(H2,15,19)
InChIKeyBPDVBYLSFWEMMH-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.74
Rot. Bonds2

About 8-piperazin-1-ylquinoline-3-carboxamide

8-piperazin-1-ylquinoline-3-carboxamide (PubChem CID 154407057) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-piperazin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-piperazin-1-ylquinoline-3-carboxamide
PubChem CID154407057
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-piperazin-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N4O/c15-14(19)11-8-10-2-1-3-12(13(10)17-9-11)18-6-4-16-5-7-18/h1-3,8-9,16H,4-7H2,(H2,15,19)
InChIKeyBPDVBYLSFWEMMH-UHFFFAOYSA-N
XLogP0.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
CID 140866616
3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
CID 145405985
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(2-methylphenyl)sulfonyl-8-piperazin-1-ylquinoline
CID 10237186
2-oxo-8-piperazin-1-ylchromene-3-carboxamide
CID 87768437
N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
CID 18414144
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
CID 46239553
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176
8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide
CID 176887404

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-ylquinoline-3-carboxamide?
The IUPAC name of 8-piperazin-1-ylquinoline-3-carboxamide (CID 154407057) is 8-piperazin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 8-piperazin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 8-piperazin-1-ylquinoline-3-carboxamide is NC(=O)c1cnc2c(N3CCNCC3)cccc2c1.
What is the InChIKey of 8-piperazin-1-ylquinoline-3-carboxamide?
The InChIKey is BPDVBYLSFWEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(19)11-8-10-2-1-3-12(13(10)17-9-11)18-6-4-16-5-7-18/h1-3,8-9,16H,4-7H2,(H2,15,19).
What are the key properties of 8-piperazin-1-ylquinoline-3-carboxamide?
8-piperazin-1-ylquinoline-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 154407057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).