4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline

C19H16ClN3O2 — CID 154066593

IUPAC4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline
SMILESCOc1ccc2c(c1)nc(Cl)c1nn(C(OC)c3ccccc3)cc12
InChIInChI=1S/C19H16ClN3O2/c1-24-13-8-9-14-15-11-23(19(25-2)12-6-4-3-5-7-12)22-17(15)18(20)21-16(14)10-13/h3-11,19H,1-2H3
InChIKeyLIXKBCFOLQXPRE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.44
Rot. Bonds4

About 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline

4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline (PubChem CID 154066593) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline
PubChem CID154066593
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline
SMILESCOc1ccc2c(c1)nc(Cl)c1nn(C(OC)c3ccccc3)cc12
InChIInChI=1S/C19H16ClN3O2/c1-24-13-8-9-14-15-11-23(19(25-2)12-6-4-3-5-7-12)22-17(15)18(20)21-16(14)10-13/h3-11,19H,1-2H3
InChIKeyLIXKBCFOLQXPRE-UHFFFAOYSA-N
XLogP4.44
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline?
The IUPAC name of 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline (CID 154066593) is 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline?
The canonical SMILES for 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline is COc1ccc2c(c1)nc(Cl)c1nn(C(OC)c3ccccc3)cc12.
What is the InChIKey of 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline?
The InChIKey is LIXKBCFOLQXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-24-13-8-9-14-15-11-23(19(25-2)12-6-4-3-5-7-12)22-17(15)18(20)21-16(14)10-13/h3-11,19H,1-2H3.
What are the key properties of 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline?
4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline has a molecular weight of 353.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 154066593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).