7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline

C24H22ClF2N3O — CID 156879816

IUPAC7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline
SMILESCC(C)c1c(Cl)nc2c(F)c3c(cnn3C3CCCCO3)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H22ClF2N3O/c1-13(2)19-20(14-6-8-16(26)9-7-14)17-11-15-12-28-30(18-5-3-4-10-31-18)23(15)21(27)22(17)29-24(19)25/h6-9,11-13,18H,3-5,10H2,1-2H3
InChIKeyUPAKTKRWDNCHFY-UHFFFAOYSA-N
MW441.91 g/mol
LogP7.01
Rot. Bonds3

About 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline

7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline (PubChem CID 156879816) has the molecular formula C24H22ClF2N3O and a molecular weight of 441.91 g/mol. Its IUPAC name is 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline.

Molecular Properties

Compound Name7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline
PubChem CID156879816
Molecular FormulaC24H22ClF2N3O
Molecular Weight441.91 g/mol
Exact Mass441.14
IUPAC Name7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline
SMILESCC(C)c1c(Cl)nc2c(F)c3c(cnn3C3CCCCO3)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H22ClF2N3O/c1-13(2)19-20(14-6-8-16(26)9-7-14)17-11-15-12-28-30(18-5-3-4-10-31-18)23(15)21(27)22(17)29-24(19)25/h6-9,11-13,18H,3-5,10H2,1-2H3
InChIKeyUPAKTKRWDNCHFY-UHFFFAOYSA-N
XLogP7.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline?
The IUPAC name of 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline (CID 156879816) is 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline.
What is the SMILES notation for 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline?
The canonical SMILES for 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline is CC(C)c1c(Cl)nc2c(F)c3c(cnn3C3CCCCO3)cc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline?
The InChIKey is UPAKTKRWDNCHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O/c1-13(2)19-20(14-6-8-16(26)9-7-14)17-11-15-12-28-30(18-5-3-4-10-31-18)23(15)21(27)22(17)29-24(19)25/h6-9,11-13,18H,3-5,10H2,1-2H3.
What are the key properties of 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline?
7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline has a molecular weight of 441.91 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-fluoro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]quinoline is sourced from PubChem (CID 156879816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).