8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C19H19ClN4O2 — CID 91953635

IUPAC8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-4-1-3-14-17(15)22-12-13(11-21)18(14)23-6-8-24(9-7-23)19(25)16-5-2-10-26-16/h1,3-4,12,16H,2,5-10H2
InChIKeyFTBAATJCIGCIHU-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.59
Rot. Bonds2

About 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 91953635) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID91953635
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-4-1-3-14-17(15)22-12-13(11-21)18(14)23-6-8-24(9-7-23)19(25)16-5-2-10-26-16/h1,3-4,12,16H,2,5-10H2
InChIKeyFTBAATJCIGCIHU-UHFFFAOYSA-N
XLogP2.59
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
5-nitro-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 7761304
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 91953635) is 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is FTBAATJCIGCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-4-1-3-14-17(15)22-12-13(11-21)18(14)23-6-8-24(9-7-23)19(25)16-5-2-10-26-16/h1,3-4,12,16H,2,5-10H2.
What are the key properties of 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 370.84 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 91953635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).