1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one

C25H22N2O — CID 23118670

IUPAC1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C25H22N2O/c1-16(2)25(28)27-23-14-8-6-11-19(23)17-9-3-4-12-20(17)24(27)21-15-26-22-13-7-5-10-18(21)22/h3-16,24,26H,1-2H3
InChIKeyVRTDRTWHTPMYOE-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.93
Rot. Bonds2

About 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one

1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one (PubChem CID 23118670) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one
PubChem CID23118670
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C25H22N2O/c1-16(2)25(28)27-23-14-8-6-11-19(23)17-9-3-4-12-20(17)24(27)21-15-26-22-13-7-5-10-18(21)22/h3-16,24,26H,1-2H3
InChIKeyVRTDRTWHTPMYOE-UHFFFAOYSA-N
XLogP5.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
CID 23118688
(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
CID 23118671
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 4575435
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(6R)-6-(1H-indol-3-yl)-1-(2-methylpropanoyl)-3-phenyl-4,6-dihydro-1,2,4-triazin-5-one
CID 135737691
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7343328
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702
(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
CID 41168499
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 4567476

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one (CID 23118670) is 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one is CC(C)C(=O)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one?
The InChIKey is VRTDRTWHTPMYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-16(2)25(28)27-23-14-8-6-11-19(23)17-9-3-4-12-20(17)24(27)21-15-26-22-13-7-5-10-18(21)22/h3-16,24,26H,1-2H3.
What are the key properties of 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one?
1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one has a molecular weight of 366.46 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 23118670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).