7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H12ClN3O2 — CID 171342521

IUPAC7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Cl)ccc43)c2=O)cc1
InChIInChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyBKQKCBZQLPKVSC-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.53
Rot. Bonds2

About 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 171342521) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID171342521
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Cl)ccc43)c2=O)cc1
InChIInChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyBKQKCBZQLPKVSC-UHFFFAOYSA-N
XLogP3.53
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 171342521) is 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(Cl)ccc43)c2=O)cc1.
What is the InChIKey of 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BKQKCBZQLPKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21/h2-9,20H,1H3.
What are the key properties of 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 325.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 171342521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).