7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one

C23H20N2O2 — CID 46914001

IUPAC7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
SMILESCc1ccc2c3c(ccc2n1)C(c1ccc(O)cc1)C1=C(CCCC1=O)N3
InChIInChI=1S/C23H20N2O2/c1-13-5-10-16-18(24-13)12-11-17-21(14-6-8-15(26)9-7-14)22-19(25-23(16)17)3-2-4-20(22)27/h5-12,21,25-26H,2-4H2,1H3
InChIKeyWXXDWSFTDGJVML-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.81
Rot. Bonds1

About 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one

7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one (PubChem CID 46914001) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
PubChem CID46914001
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
SMILESCc1ccc2c3c(ccc2n1)C(c1ccc(O)cc1)C1=C(CCCC1=O)N3
InChIInChI=1S/C23H20N2O2/c1-13-5-10-16-18(24-13)12-11-17-21(14-6-8-15(26)9-7-14)22-19(25-23(16)17)3-2-4-20(22)27/h5-12,21,25-26H,2-4H2,1H3
InChIKeyWXXDWSFTDGJVML-UHFFFAOYSA-N
XLogP4.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one with MolForge

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Related Compounds

12-(3,4-dihydroxyphenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 3500970
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
7-(4-propan-2-ylphenyl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 78472638
(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 1044602
ethyl (4S)-2-ethyl-4-(4-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 748524
(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 1267299
2-phenylethyl (4R)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1087381
7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
CID 42642087
(4S)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230507
3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955175
4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4174216
(4R)-4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022569

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The IUPAC name of 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one (CID 46914001) is 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one is Cc1ccc2c3c(ccc2n1)C(c1ccc(O)cc1)C1=C(CCCC1=O)N3.
What is the InChIKey of 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The InChIKey is WXXDWSFTDGJVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-13-5-10-16-18(24-13)12-11-17-21(14-6-8-15(26)9-7-14)22-19(25-23(16)17)3-2-4-20(22)27/h5-12,21,25-26H,2-4H2,1H3.
What are the key properties of 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one has a molecular weight of 356.43 g/mol, XLogP of 4.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one is sourced from PubChem (CID 46914001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).