6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile

C18H18F2N4O2 — CID 133285331

IUPAC6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCCC(=O)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C18H18F2N4O2/c1-2-16(25)23-5-7-24(8-6-23)17-12(10-21)11-22-15-4-3-13(9-14(15)17)26-18(19)20/h3-4,9,11,18H,2,5-8H2,1H3
InChIKeyHQXHBGNDJYLQJX-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.77
Rot. Bonds4

About 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile

6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile (PubChem CID 133285331) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
PubChem CID133285331
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCCC(=O)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C18H18F2N4O2/c1-2-16(25)23-5-7-24(8-6-23)17-12(10-21)11-22-15-4-3-13(9-14(15)17)26-18(19)20/h3-4,9,11,18H,2,5-8H2,1H3
InChIKeyHQXHBGNDJYLQJX-UHFFFAOYSA-N
XLogP2.77
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethoxy)-4-(4-propanoylpiperazin-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

6-(difluoromethoxy)-4-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 60567902
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
CID 133437583
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133481093
methyl 4-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]piperidine-1-carboxylate
CID 133273498
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064920
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133328448
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122060998

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile (CID 133285331) is 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile is CCC(=O)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1.
What is the InChIKey of 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile?
The InChIKey is HQXHBGNDJYLQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-2-16(25)23-5-7-24(8-6-23)17-12(10-21)11-22-15-4-3-13(9-14(15)17)26-18(19)20/h3-4,9,11,18H,2,5-8H2,1H3.
What are the key properties of 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile has a molecular weight of 360.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 133285331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).