3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one

C25H22N2O — CID 10194337

IUPAC3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc12
InChIInChI=1S/C25H22N2O/c28-25-23-9-5-4-8-21(23)22-11-10-18(16-24(22)26-25)17-27-14-12-20(13-15-27)19-6-2-1-3-7-19/h1-12,16H,13-15,17H2,(H,26,28)
InChIKeyRXXRSJMPZOLNLZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.97
Rot. Bonds3

About 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one

3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one (PubChem CID 10194337) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one
PubChem CID10194337
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc12
InChIInChI=1S/C25H22N2O/c28-25-23-9-5-4-8-21(23)22-11-10-18(16-24(22)26-25)17-27-14-12-20(13-15-27)19-6-2-1-3-7-19/h1-12,16H,13-15,17H2,(H,26,28)
InChIKeyRXXRSJMPZOLNLZ-UHFFFAOYSA-N
XLogP4.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6(5H)-Phenanthridinone
CID 1853
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
T-226296
CID 9865843
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
N-1-Naphthylbenzamide
CID 69448
9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748017
2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748021
6(5h)-Phenanthridinone, 2-amino-
CID 270668
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one?
The IUPAC name of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one (CID 10194337) is 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one.
What is the SMILES notation for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one?
The canonical SMILES for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one is O=c1[nH]c2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc12.
What is the InChIKey of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one?
The InChIKey is RXXRSJMPZOLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c28-25-23-9-5-4-8-21(23)22-11-10-18(16-24(22)26-25)17-27-14-12-20(13-15-27)19-6-2-1-3-7-19/h1-12,16H,13-15,17H2,(H,26,28).
What are the key properties of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one?
3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one has a molecular weight of 366.46 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-phenanthridin-6-one is sourced from PubChem (CID 10194337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).