(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

C23H18Cl2N2O — CID 1044602

IUPAC(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESCc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1cccc(Cl)c1Cl
InChIInChI=1S/C23H18Cl2N2O/c1-12-8-9-13-16(26-12)10-11-18-20(13)21(14-4-2-5-15(24)23(14)25)22-17(27-18)6-3-7-19(22)28/h2,4-5,8-11,21,27H,3,6-7H2,1H3/t21-/m1/s1
InChIKeyIPPYTMVKHCJULK-OAQYLSRUSA-N
MW409.32 g/mol
LogP6.41
Rot. Bonds1

About (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (PubChem CID 1044602) has the molecular formula C23H18Cl2N2O and a molecular weight of 409.32 g/mol. Its IUPAC name is (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.

Molecular Properties

Compound Name(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
PubChem CID1044602
Molecular FormulaC23H18Cl2N2O
Molecular Weight409.32 g/mol
Exact Mass408.08
IUPAC Name(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESCc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1cccc(Cl)c1Cl
InChIInChI=1S/C23H18Cl2N2O/c1-12-8-9-13-16(26-12)10-11-18-20(13)21(14-4-2-5-15(24)23(14)25)22-17(27-18)6-3-7-19(22)28/h2,4-5,8-11,21,27H,3,6-7H2,1H3/t21-/m1/s1
InChIKeyIPPYTMVKHCJULK-OAQYLSRUSA-N
XLogP6.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-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
(5R)-5-(2,3-dichlorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 27881055
(12R)-12-[(1S)-cyclohex-3-en-1-yl]-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 729178
7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 46914001
(12R)-12-(2-iodophenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 1265552
2-methoxyethyl (4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 38989358
(4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848352
(12R)-12-pyridin-4-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 42558693
(12S)-12-(2-chlorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1283034
4-(2-chlorophenyl)-3-methyl-1-(3-methylphenyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 3294446
(12R)-12-pyridin-3-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 714131
12-(4-bromophenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 16761488

Frequently Asked Questions

What is the IUPAC name of (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The IUPAC name of (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (CID 1044602) is (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.
What is the SMILES notation for (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The canonical SMILES for (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1cccc(Cl)c1Cl.
What is the InChIKey of (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The InChIKey is IPPYTMVKHCJULK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18Cl2N2O/c1-12-8-9-13-16(26-12)10-11-18-20(13)21(14-4-2-5-15(24)23(14)25)22-17(27-18)6-3-7-19(22)28/h2,4-5,8-11,21,27H,3,6-7H2,1H3/t21-/m1/s1.
What are the key properties of (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
(12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one has a molecular weight of 409.32 g/mol, XLogP of 6.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-(2,3-dichlorophenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is sourced from PubChem (CID 1044602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).