1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline

C19H16ClN3O2 — CID 68631932

IUPAC1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C)c(Cl)c4)c3c2cc1OC
InChIInChI=1S/C19H16ClN3O2/c1-10-4-5-11(6-13(10)20)19-18-12-7-16(24-2)17(25-3)8-14(12)21-9-15(18)22-23-19/h4-9H,1-3H3,(H,22,23)
InChIKeyUBYGOMMHVKDUNG-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.76
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline

1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline (PubChem CID 68631932) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline
PubChem CID68631932
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C)c(Cl)c4)c3c2cc1OC
InChIInChI=1S/C19H16ClN3O2/c1-10-4-5-11(6-13(10)20)19-18-12-7-16(24-2)17(25-3)8-14(12)21-9-15(18)22-23-19/h4-9H,1-3H3,(H,22,23)
InChIKeyUBYGOMMHVKDUNG-UHFFFAOYSA-N
XLogP4.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline (CID 68631932) is 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline is COc1cc2ncc3[nH]nc(-c4ccc(C)c(Cl)c4)c3c2cc1OC.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline?
The InChIKey is UBYGOMMHVKDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-10-4-5-11(6-13(10)20)19-18-12-7-16(24-2)17(25-3)8-14(12)21-9-15(18)22-23-19/h4-9H,1-3H3,(H,22,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline?
1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline has a molecular weight of 353.81 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 68631932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).