1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline

C22H11ClF3N3 — CID 20852455

IUPAC1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1
InChIInChI=1S/C22H11ClF3N3/c23-17-10-14(6-7-18(17)25)29-22-15-8-13(24)9-19(26)21(15)27-11-16(22)20(28-29)12-4-2-1-3-5-12/h1-11H
InChIKeyOKMBUHWMGSXEED-UHFFFAOYSA-N
MW409.80 g/mol
LogP6.31
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline

1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852455) has the molecular formula C22H11ClF3N3 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852455
Molecular FormulaC22H11ClF3N3
Molecular Weight409.80 g/mol
Exact Mass409.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1
InChIInChI=1S/C22H11ClF3N3/c23-17-10-14(6-7-18(17)25)29-22-15-8-13(24)9-19(26)21(15)27-11-16(22)20(28-29)12-4-2-1-3-5-12/h1-11H
InChIKeyOKMBUHWMGSXEED-UHFFFAOYSA-N
XLogP6.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline 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

2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
7-chloro-N-[3-(diethylaminomethyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 16718998
7-Chloro-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
CID 44346052
1-(3-chloro-4-fluorophenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351030
7-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)quinoline
CID 365206
Dihydropyrrolopyrazole, 7b
CID 21992836
7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine
CID 5008472
N-(benzylideneamino)-7-chloroquinolin-4-amine
CID 5151823
3-Chlorodibenzo[b,h][1,6]naphthyridin-7-amine
CID 10492974
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]quinoline
CID 44264629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline (CID 20852455) is 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline is Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is OKMBUHWMGSXEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClF3N3/c23-17-10-14(6-7-18(17)25)29-22-15-8-13(24)9-19(26)21(15)27-11-16(22)20(28-29)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 409.80 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).