8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C23H20N2O — CID 619386

IUPAC8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCc1ccccc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2
InChIInChI=1S/C23H20N2O/c1-14-6-2-3-7-15(14)23-22-17(8-4-10-20(22)26)21-16-9-5-13-24-18(16)11-12-19(21)25-23/h2-3,5-7,9,11-13,23,25H,4,8,10H2,1H3
InChIKeyQCEHOGQBJLVNHB-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.22
Rot. Bonds1

About 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 619386) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID619386
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCc1ccccc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2
InChIInChI=1S/C23H20N2O/c1-14-6-2-3-7-15(14)23-22-17(8-4-10-20(22)26)21-16-9-5-13-24-18(16)11-12-19(21)25-23/h2-3,5-7,9,11-13,23,25H,4,8,10H2,1H3
InChIKeyQCEHOGQBJLVNHB-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 619386) is 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is Cc1ccccc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2.
What is the InChIKey of 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is QCEHOGQBJLVNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-14-6-2-3-7-15(14)23-22-17(8-4-10-20(22)26)21-16-9-5-13-24-18(16)11-12-19(21)25-23/h2-3,5-7,9,11-13,23,25H,4,8,10H2,1H3.
What are the key properties of 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 340.43 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).