3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C24H18ClN3O — CID 2137227

IUPAC3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3ccccc32)c1
InChIInChI=1S/C24H18ClN3O/c1-29-19-6-4-5-16(13-19)14-28-15-21-23(17-9-11-18(25)12-10-17)26-27-24(21)20-7-2-3-8-22(20)28/h2-13,15H,14H2,1H3
InChIKeyRSJQFWXAXLDSJZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.91
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2137227) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2137227
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3ccccc32)c1
InChIInChI=1S/C24H18ClN3O/c1-29-19-6-4-5-16(13-19)14-28-15-21-23(17-9-11-18(25)12-10-17)26-27-24(21)20-7-2-3-8-22(20)28/h2-13,15H,14H2,1H3
InChIKeyRSJQFWXAXLDSJZ-UHFFFAOYSA-N
XLogP5.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2137227) is 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3ccccc32)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is RSJQFWXAXLDSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c1-29-19-6-4-5-16(13-19)14-28-15-21-23(17-9-11-18(25)12-10-17)26-27-24(21)20-7-2-3-8-22(20)28/h2-13,15H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 399.88 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2137227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).