1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

C25H29N5O2 — CID 56592259

IUPAC1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
SMILESCCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyGDBPBUTUEIIINY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline (PubChem CID 56592259) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
PubChem CID56592259
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
SMILESCCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyGDBPBUTUEIIINY-UHFFFAOYSA-N
XLogP3.95
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.95
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
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
4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591533
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-methoxy-3-methyl-8-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 68635164
4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
CID 16807320
3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
CID 68633326
4-[7-[2-(dimethylamino)ethoxy]-8-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 123667194
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
CID 91313177
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline (CID 56592259) is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline is CCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?
The InChIKey is GDBPBUTUEIIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline has a molecular weight of 431.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 56592259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).