7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one

C23H17ClN4O2 — CID 172525101

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(Cn2cc3c(n2)c(=O)n(-c2cccnc2)c2cc(Cl)ccc32)cc1
InChIInChI=1S/C23H17ClN4O2/c1-30-18-7-4-15(5-8-18)13-27-14-20-19-9-6-16(24)11-21(19)28(23(29)22(20)26-27)17-3-2-10-25-12-17/h2-12,14H,13H2,1H3
InChIKeyQOQKGVFAUMLBPW-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.45
Rot. Bonds4

About 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one

7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525101) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
PubChem CID172525101
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(Cn2cc3c(n2)c(=O)n(-c2cccnc2)c2cc(Cl)ccc32)cc1
InChIInChI=1S/C23H17ClN4O2/c1-30-18-7-4-15(5-8-18)13-27-14-20-19-9-6-16(24)11-21(19)28(23(29)22(20)26-27)17-3-2-10-25-12-17/h2-12,14H,13H2,1H3
InChIKeyQOQKGVFAUMLBPW-UHFFFAOYSA-N
XLogP4.45
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one (CID 172525101) is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one is COc1ccc(Cn2cc3c(n2)c(=O)n(-c2cccnc2)c2cc(Cl)ccc32)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is QOQKGVFAUMLBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c1-30-18-7-4-15(5-8-18)13-27-14-20-19-9-6-16(24)11-21(19)28(23(29)22(20)26-27)17-3-2-10-25-12-17/h2-12,14H,13H2,1H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 416.87 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).