4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile

C19H13ClN4O — CID 66574540

IUPAC4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C#N)cc23)cc1
InChIInChI=1S/C19H13ClN4O/c1-25-14-5-2-12(3-6-14)10-24-11-16-15-8-13(9-21)4-7-17(15)22-19(20)18(16)23-24/h2-8,11H,10H2,1H3
InChIKeyFSEQPPRZXLUNKA-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.17
Rot. Bonds3

About 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile

4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 66574540) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile
PubChem CID66574540
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C#N)cc23)cc1
InChIInChI=1S/C19H13ClN4O/c1-25-14-5-2-12(3-6-14)10-24-11-16-15-8-13(9-21)4-7-17(15)22-19(20)18(16)23-24/h2-8,11H,10H2,1H3
InChIKeyFSEQPPRZXLUNKA-UHFFFAOYSA-N
XLogP4.17
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.17
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-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile?
The IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile (CID 66574540) is 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile is COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C#N)cc23)cc1.
What is the InChIKey of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile?
The InChIKey is FSEQPPRZXLUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c1-25-14-5-2-12(3-6-14)10-24-11-16-15-8-13(9-21)4-7-17(15)22-19(20)18(16)23-24/h2-8,11H,10H2,1H3.
What are the key properties of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile?
4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 348.79 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 66574540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).