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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Related Compounds

7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine
CID 155069559
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-methyl-1,2,4-triazol-3-yl)pyrazolo[4,3-d]pyrimidine
CID 90105081
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(2-phenylcyclopropyl)pyrazolo[4,3-d]pyrimidine
CID 90103986
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675306
4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 162266347
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
CID 90104061
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588706
2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 154637502
4-methoxy(13C)benzonitrile
CID 175991125
4-chloro-7-methoxy-2-[methoxy(phenyl)methyl]pyrazolo[3,4-c]quinoline
CID 154066593
4-[(2-chloro-6-ethoxybenzimidazol-1-yl)methyl]benzonitrile
CID 155143110

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).