11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

C23H21N3O — CID 624078

IUPAC11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccnc1
InChIInChI=1S/C23H21N3O/c1-23(2)11-16-20-15-6-4-10-25-17(15)7-8-18(20)26-22(21(16)19(27)12-23)14-5-3-9-24-13-14/h3-10,13,22,26H,11-12H2,1-2H3
InChIKeyRDZSDGPDQFFWKH-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.94
Rot. Bonds1

About 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (PubChem CID 624078) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
PubChem CID624078
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccnc1
InChIInChI=1S/C23H21N3O/c1-23(2)11-16-20-15-6-4-10-25-17(15)7-8-18(20)26-22(21(16)19(27)12-23)14-5-3-9-24-13-14/h3-10,13,22,26H,11-12H2,1-2H3
InChIKeyRDZSDGPDQFFWKH-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (CID 624078) is 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccnc1.
What is the InChIKey of 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The InChIKey is RDZSDGPDQFFWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-23(2)11-16-20-15-6-4-10-25-17(15)7-8-18(20)26-22(21(16)19(27)12-23)14-5-3-9-24-13-14/h3-10,13,22,26H,11-12H2,1-2H3.
What are the key properties of 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one has a molecular weight of 355.44 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8-pyridin-3-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 624078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).