6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one

C20H17NO5 — CID 142740408

IUPAC6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
SMILESCOc1cc(-c2c3c(nc4cc(O)c(OC)cc24)CCC3=O)ccc1O
InChIInChI=1S/C20H17NO5/c1-25-17-7-10(3-5-14(17)22)19-11-8-18(26-2)16(24)9-13(11)21-12-4-6-15(23)20(12)19/h3,5,7-9,22,24H,4,6H2,1-2H3
InChIKeyVTTZMLLZIVXBSV-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.46
Rot. Bonds3

About 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one

6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one (PubChem CID 142740408) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one.

Molecular Properties

Compound Name6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
PubChem CID142740408
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
SMILESCOc1cc(-c2c3c(nc4cc(O)c(OC)cc24)CCC3=O)ccc1O
InChIInChI=1S/C20H17NO5/c1-25-17-7-10(3-5-14(17)22)19-11-8-18(26-2)16(24)9-13(11)21-12-4-6-15(23)20(12)19/h3,5,7-9,22,24H,4,6H2,1-2H3
InChIKeyVTTZMLLZIVXBSV-UHFFFAOYSA-N
XLogP3.46
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
CID 134913983
8-(1,3-benzodioxol-5-yl)-12,14-dioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one
CID 101002428
12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
CID 2311188
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135833413
4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276754
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
2-(4-hydroxy-3-methoxyphenyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 136827204
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
methyl 8-hydroxy-1,2-bis(4-hydroxy-3-methoxyphenyl)-9-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 11526396
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
CID 170504904
4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol
CID 142714315

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The IUPAC name of 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one (CID 142740408) is 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one.
What is the SMILES notation for 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The canonical SMILES for 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one is COc1cc(-c2c3c(nc4cc(O)c(OC)cc24)CCC3=O)ccc1O.
What is the InChIKey of 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
The InChIKey is VTTZMLLZIVXBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-25-17-7-10(3-5-14(17)22)19-11-8-18(26-2)16(24)9-13(11)21-12-4-6-15(23)20(12)19/h3,5,7-9,22,24H,4,6H2,1-2H3.
What are the key properties of 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one?
6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one has a molecular weight of 351.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrocyclopenta[b]quinolin-1-one is sourced from PubChem (CID 142740408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).