(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one

C23H18N2O3 — CID 1267299

IUPAC(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
SMILESO=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-18-5-1-4-17-22(18)21(13-6-9-19-20(11-13)28-12-27-19)15-7-8-16-14(23(15)25-17)3-2-10-24-16/h2-3,6-11,21,25H,1,4-5,12H2/t21-/m0/s1
InChIKeyRWUPOOKIXCYLDW-NRFANRHFSA-N
MW370.41 g/mol
LogP4.53
Rot. Bonds1

About (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one

(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one (PubChem CID 1267299) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one.

Molecular Properties

Compound Name(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
PubChem CID1267299
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
SMILESO=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-18-5-1-4-17-22(18)21(13-6-9-19-20(11-13)28-12-27-19)15-7-8-16-14(23(15)25-17)3-2-10-24-16/h2-3,6-11,21,25H,1,4-5,12H2/t21-/m0/s1
InChIKeyRWUPOOKIXCYLDW-NRFANRHFSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-propan-2-ylphenyl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 78472638
4-(1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23945058
12-(4-bromophenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 16761488
methyl (4R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721410
(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 1399325
(12R)-12-pyridin-4-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 42558693
(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879030
7-(3-methylthiophen-2-yl)-7,9,10,11-tetrahydrocyclopenta[b][1,7]phenanthrolin-8-one
CID 139267218
(12R)-12-pyridin-3-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 714131
7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 46914001
(10S)-10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879134
(12R)-12-(2-iodophenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 1265552

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The IUPAC name of (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one (CID 1267299) is (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one.
What is the SMILES notation for (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The canonical SMILES for (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one is O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2.
What is the InChIKey of (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
The InChIKey is RWUPOOKIXCYLDW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-18-5-1-4-17-22(18)21(13-6-9-19-20(11-13)28-12-27-19)15-7-8-16-14(23(15)25-17)3-2-10-24-16/h2-3,6-11,21,25H,1,4-5,12H2/t21-/m0/s1.
What are the key properties of (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one?
(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one has a molecular weight of 370.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one is sourced from PubChem (CID 1267299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).