7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

C19H15ClFN3 — CID 156879702

IUPAC7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCC(C)c1c(Cl)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3/c1-10(2)17-18(11-3-5-13(21)6-4-11)14-7-12-9-22-24-15(12)8-16(14)23-19(17)20/h3-10H,1-2H3,(H,22,24)
InChIKeyBDUDNTIEYBIVHC-UHFFFAOYSA-N
MW339.80 g/mol
LogP5.69
Rot. Bonds2

About 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (PubChem CID 156879702) has the molecular formula C19H15ClFN3 and a molecular weight of 339.80 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
PubChem CID156879702
Molecular FormulaC19H15ClFN3
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCC(C)c1c(Cl)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3/c1-10(2)17-18(11-3-5-13(21)6-4-11)14-7-12-9-22-24-15(12)8-16(14)23-19(17)20/h3-10H,1-2H3,(H,22,24)
InChIKeyBDUDNTIEYBIVHC-UHFFFAOYSA-N
XLogP5.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
4-(3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)quinoline
CID 4464598
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
3-methyl-5-(pyridin-3-yl)-1H-indazole
CID 49830586
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
5-[2-(3,5-difluorophenyl)ethynyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734027
3,5-difluoro-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734106
5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734114
5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734131
5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734137
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734142
US10087185, Example 118
CID 134452620

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (CID 156879702) is 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is CC(C)c1c(Cl)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The InChIKey is BDUDNTIEYBIVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3/c1-10(2)17-18(11-3-5-13(21)6-4-11)14-7-12-9-22-24-15(12)8-16(14)23-19(17)20/h3-10H,1-2H3,(H,22,24).
What are the key properties of 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline has a molecular weight of 339.80 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is sourced from PubChem (CID 156879702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).