9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one

C23H23NO6 — CID 134913983

IUPAC9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
SMILESCOc1ccc(-c2c3c(nc4c(OC)c(OC)c(OC)cc24)CCC3=O)cc1OC
InChIInChI=1S/C23H23NO6/c1-26-16-9-6-12(10-17(16)27-2)19-13-11-18(28-3)22(29-4)23(30-5)21(13)24-14-7-8-15(25)20(14)19/h6,9-11H,7-8H2,1-5H3
InChIKeyNXNCJZAIEADZRW-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.07
Rot. Bonds6

About 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one

9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one (PubChem CID 134913983) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
PubChem CID134913983
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
SMILESCOc1ccc(-c2c3c(nc4c(OC)c(OC)c(OC)cc24)CCC3=O)cc1OC
InChIInChI=1S/C23H23NO6/c1-26-16-9-6-12(10-17(16)27-2)19-13-11-18(28-3)22(29-4)23(30-5)21(13)24-14-7-8-15(25)20(14)19/h6,9-11H,7-8H2,1-5H3
InChIKeyNXNCJZAIEADZRW-UHFFFAOYSA-N
XLogP4.07
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one with MolForge

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Related Compounds

6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
CID 142740408
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
CID 19688731
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 89415460
6-methoxy-9-methyl-5-phenyl-3,4-dihydro-2H-acridin-1-one
CID 53469338
1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 44625349
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135830947
1,4,8,11-tetrakis(3,4-dimethoxyphenyl)quinoxalino[2,3-b]phenazine-6,13-dione
CID 170781812
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 101176072

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one (CID 134913983) is 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one is COc1ccc(-c2c3c(nc4c(OC)c(OC)c(OC)cc24)CCC3=O)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The InChIKey is NXNCJZAIEADZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-26-16-9-6-12(10-17(16)27-2)19-13-11-18(28-3)22(29-4)23(30-5)21(13)24-14-7-8-15(25)20(14)19/h6,9-11H,7-8H2,1-5H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one has a molecular weight of 409.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one is sourced from PubChem (CID 134913983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).