3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C24H19ClN4O2 — CID 23153860

IUPAC3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Cl)cc4)nc3c3ccccc32)cc1
InChIInChI=1S/C24H19ClN4O2/c1-31-18-12-6-15(7-13-18)14-28-20-5-3-2-4-19(20)22-21(24(28)30)23(26)29(27-22)17-10-8-16(25)9-11-17/h2-13H,14,26H2,1H3
InChIKeyINQTYRMTFMYSGN-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.63
Rot. Bonds4

About 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153860) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153860
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Cl)cc4)nc3c3ccccc32)cc1
InChIInChI=1S/C24H19ClN4O2/c1-31-18-12-6-15(7-13-18)14-28-20-5-3-2-4-19(20)22-21(24(28)30)23(26)29(27-22)17-10-8-16(25)9-11-17/h2-13H,14,26H2,1H3
InChIKeyINQTYRMTFMYSGN-UHFFFAOYSA-N
XLogP4.63
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153860) is 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Cl)cc4)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is INQTYRMTFMYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-31-18-12-6-15(7-13-18)14-28-20-5-3-2-4-19(20)22-21(24(28)30)23(26)29(27-22)17-10-8-16(25)9-11-17/h2-13H,14,26H2,1H3.
What are the key properties of 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 430.90 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).