7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

C20H17ClFN3 — CID 156879470

IUPAC7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)cc3)c2cc2cn[nH]c12
InChIInChI=1S/C20H17ClFN3/c1-10(2)16-17(12-4-6-14(22)7-5-12)15-8-13-9-23-25-18(13)11(3)19(15)24-20(16)21/h4-10H,1-3H3,(H,23,25)
InChIKeyBNKHAFSAZZNGSW-UHFFFAOYSA-N
MW353.83 g/mol
LogP6.00
Rot. Bonds2

About 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (PubChem CID 156879470) has the molecular formula C20H17ClFN3 and a molecular weight of 353.83 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
PubChem CID156879470
Molecular FormulaC20H17ClFN3
Molecular Weight353.83 g/mol
Exact Mass353.11
IUPAC Name7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)cc3)c2cc2cn[nH]c12
InChIInChI=1S/C20H17ClFN3/c1-10(2)16-17(12-4-6-14(22)7-5-12)15-8-13-9-23-25-18(13)11(3)19(15)24-20(16)21/h4-10H,1-3H3,(H,23,25)
InChIKeyBNKHAFSAZZNGSW-UHFFFAOYSA-N
XLogP6.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 56.00
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

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
US10087185, Example 118
CID 134452620
7-(7-Chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-
CID 134452624
US10087185, Example 125
CID 134452629
US10087185, Example 74
CID 134457801
US10087185, Example 73
CID 134458011
1-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 164612203
6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766655
6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766659
6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766671
6-(1h-Indazol-5-yl)-4-(4-pyridinyl)quinoline
CID 59859929

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (CID 156879470) is 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is Cc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)cc3)c2cc2cn[nH]c12.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The InChIKey is BNKHAFSAZZNGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3/c1-10(2)16-17(12-4-6-14(22)7-5-12)15-8-13-9-23-25-18(13)11(3)19(15)24-20(16)21/h4-10H,1-3H3,(H,23,25).
What are the key properties of 7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
7-chloro-5-(4-fluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline has a molecular weight of 353.83 g/mol, XLogP of 6.00, 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)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is sourced from PubChem (CID 156879470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).