2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C18H18N4O — CID 110348550

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H18N4O/c19-12-15-11-14-3-1-2-4-16(14)20-17(15)21-7-9-22(10-8-21)18(23)13-5-6-13/h1-4,11,13H,5-10H2
InChIKeyFFVHZJQTCQBGQN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.17
Rot. Bonds2

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 110348550) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID110348550
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H18N4O/c19-12-15-11-14-3-1-2-4-16(14)20-17(15)21-7-9-22(10-8-21)18(23)13-5-6-13/h1-4,11,13H,5-10H2
InChIKeyFFVHZJQTCQBGQN-UHFFFAOYSA-N
XLogP2.17
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
CID 163353105
N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345952
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 1451824
N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
2-(4-benzylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile
CID 110348609
2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 75598292
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 103577412
tert-butyl N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]carbamate
CID 77496249
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 146074623
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 110348550) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is FFVHZJQTCQBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-12-15-11-14-3-1-2-4-16(14)20-17(15)21-7-9-22(10-8-21)18(23)13-5-6-13/h1-4,11,13H,5-10H2.
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 110348550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).