1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline

C24H18ClN3 — CID 20852726

IUPAC1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3/c1-15-8-11-22-19(12-15)24-20(14-26-22)23(17-6-4-3-5-7-17)27-28(24)18-10-9-16(2)21(25)13-18/h3-14H,1-2H3
InChIKeyHKZYNQUQHWMXDY-UHFFFAOYSA-N
MW383.88 g/mol
LogP6.51
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline

1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852726) has the molecular formula C24H18ClN3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852726
Molecular FormulaC24H18ClN3
Molecular Weight383.88 g/mol
Exact Mass383.12
IUPAC Name1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3/c1-15-8-11-22-19(12-15)24-20(14-26-22)23(17-6-4-3-5-7-17)27-28(24)18-10-9-16(2)21(25)13-18/h3-14H,1-2H3
InChIKeyHKZYNQUQHWMXDY-UHFFFAOYSA-N
XLogP6.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline (CID 20852726) is 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is HKZYNQUQHWMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3/c1-15-8-11-22-19(12-15)24-20(14-26-22)23(17-6-4-3-5-7-17)27-28(24)18-10-9-16(2)21(25)13-18/h3-14H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 383.88 g/mol, XLogP of 6.51, 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-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).