8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

C24H21ClN2O — CID 2899485

IUPAC8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O/c1-24(2)12-17-21-16-4-3-11-26-18(16)9-10-19(21)27-23(22(17)20(28)13-24)14-5-7-15(25)8-6-14/h3-11,23,27H,12-13H2,1-2H3
InChIKeyVLDGSSHAIMYNBX-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.20
Rot. Bonds1

About 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (PubChem CID 2899485) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
PubChem CID2899485
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O/c1-24(2)12-17-21-16-4-3-11-26-18(16)9-10-19(21)27-23(22(17)20(28)13-24)14-5-7-15(25)8-6-14/h3-11,23,27H,12-13H2,1-2H3
InChIKeyVLDGSSHAIMYNBX-UHFFFAOYSA-N
XLogP6.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (CID 2899485) is 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The InChIKey is VLDGSSHAIMYNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-24(2)12-17-21-16-4-3-11-26-18(16)9-10-19(21)27-23(22(17)20(28)13-24)14-5-7-15(25)8-6-14/h3-11,23,27H,12-13H2,1-2H3.
What are the key properties of 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one has a molecular weight of 388.90 g/mol, XLogP of 6.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 2899485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).