8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C24H22N2O4 — CID 2946740

IUPAC8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCOc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O
InChIInChI=1S/C24H22N2O4/c1-29-19-11-13(12-20(30-2)24(19)28)23-22-15(5-3-7-18(22)27)21-14-6-4-10-25-16(14)8-9-17(21)26-23/h4,6,8-12,23,26,28H,3,5,7H2,1-2H3
InChIKeyIEFGICUUJSRKRW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.63
Rot. Bonds3

About 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 2946740) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID2946740
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCOc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O
InChIInChI=1S/C24H22N2O4/c1-29-19-11-13(12-20(30-2)24(19)28)23-22-15(5-3-7-18(22)27)21-14-6-4-10-25-16(14)8-9-17(21)26-23/h4,6,8-12,23,26,28H,3,5,7H2,1-2H3
InChIKeyIEFGICUUJSRKRW-UHFFFAOYSA-N
XLogP4.63
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one with MolForge

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Related Compounds

(5S,5aS,8aR,9R)-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 155517008
2-Methoxy-6-[[3-[[7-(3-methoxyphenoxy)-4-quinolyl]amino]propylamino]methyl]phenol
CID 56593948
3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563827
7-Methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol
CID 146562811
8-(4-Hydroxy-3-methoxy-phenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 655584
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2331793
8-(3,4-dihydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2886781
12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
CID 3488824
12-(3,4-dimethoxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
CID 3662666
12-(3,4-dihydroxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
CID 4204273
N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 4284967
12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
CID 5031375

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 2946740) is 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O.
What is the InChIKey of 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is IEFGICUUJSRKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-19-11-13(12-20(30-2)24(19)28)23-22-15(5-3-7-18(22)27)21-14-6-4-10-25-16(14)8-9-17(21)26-23/h4,6,8-12,23,26,28H,3,5,7H2,1-2H3.
What are the key properties of 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 402.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 2946740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).