4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile

C23H25N5O2 — CID 123667194

IUPAC4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESCOc1cc2c(cc1OCCN(C)C)ncc1c2c(C2=CC=C(C#N)CC2)nn1C
InChIInChI=1S/C23H25N5O2/c1-27(2)9-10-30-21-12-18-17(11-20(21)29-4)22-19(14-25-18)28(3)26-23(22)16-7-5-15(13-24)6-8-16/h5,7,11-12,14H,6,8-10H2,1-4H3
InChIKeyRPMXZJFJIHASRV-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.70
Rot. Bonds6

About 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile

4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 123667194) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile
PubChem CID123667194
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESCOc1cc2c(cc1OCCN(C)C)ncc1c2c(C2=CC=C(C#N)CC2)nn1C
InChIInChI=1S/C23H25N5O2/c1-27(2)9-10-30-21-12-18-17(11-20(21)29-4)22-19(14-25-18)28(3)26-23(22)16-7-5-15(13-24)6-8-16/h5,7,11-12,14H,6,8-10H2,1-4H3
InChIKeyRPMXZJFJIHASRV-UHFFFAOYSA-N
XLogP3.70
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592426
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 56592259
4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591533
(2R)-2-[1-(4-cyano-2-fluorophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxy-2-phenylacetamide
CID 134400010
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
6-methoxy-4-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile
CID 69171695
4-[7-methoxy-3-methyl-8-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 68635164
3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
CID 68633326
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
[1-[2-fluoro-4-(methylamino)phenyl]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl] trifluoromethanesulfonate
CID 162589945
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 11666049

Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile (CID 123667194) is 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile is COc1cc2c(cc1OCCN(C)C)ncc1c2c(C2=CC=C(C#N)CC2)nn1C.
What is the InChIKey of 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is RPMXZJFJIHASRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27(2)9-10-30-21-12-18-17(11-20(21)29-4)22-19(14-25-18)28(3)26-23(22)16-7-5-15(13-24)6-8-16/h5,7,11-12,14H,6,8-10H2,1-4H3.
What are the key properties of 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile?
4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 403.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 123667194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).