4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

C20H16N4O2 — CID 56592426

IUPAC4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC
InChIInChI=1S/C20H16N4O2/c1-24-16-11-22-15-9-18(26-3)17(25-2)8-14(15)19(16)20(23-24)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3
InChIKeyMQUUQCKBWSPATR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.68
Rot. Bonds3

About 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592426) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592426
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC
InChIInChI=1S/C20H16N4O2/c1-24-16-11-22-15-9-18(26-3)17(25-2)8-14(15)19(16)20(23-24)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3
InChIKeyMQUUQCKBWSPATR-UHFFFAOYSA-N
XLogP3.68
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591533
4-[7-methoxy-3-methyl-8-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 68635164
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 56592259
N-(cyanomethoxy)-3-[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]-2-(4-fluorophenyl)propanamide
CID 87523775
(2R)-2-[1-(4-cyano-2-fluorophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxy-2-phenylacetamide
CID 134400010
4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 123667194
5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[3,4-c]quinolin-8-yl]pyridine-3-carbonitrile
CID 44595762
3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
CID 68633326
7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline
CID 148622773
4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 159376281
2-methyl-2-[4-[3-methyl-8-(6-methyl-3-pyridinyl)pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412483
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 118722441

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592426) is 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is MQUUQCKBWSPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-16-11-22-15-9-18(26-3)17(25-2)8-14(15)19(16)20(23-24)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3.
What are the key properties of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 344.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).