5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one

C21H20N2O2 — CID 166635773

IUPAC5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one
SMILESCN(C)CCn1c(=O)c2cc(O)ccc2c2ccc3ccccc3c21
InChIInChI=1S/C21H20N2O2/c1-22(2)11-12-23-20-16-6-4-3-5-14(16)7-9-18(20)17-10-8-15(24)13-19(17)21(23)25/h3-10,13,24H,11-12H2,1-2H3
InChIKeyIAWGECLFNBJXKG-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.58
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one

5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one (PubChem CID 166635773) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one
PubChem CID166635773
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one
SMILESCN(C)CCn1c(=O)c2cc(O)ccc2c2ccc3ccccc3c21
InChIInChI=1S/C21H20N2O2/c1-22(2)11-12-23-20-16-6-4-3-5-14(16)7-9-18(20)17-10-8-15(24)13-19(17)21(23)25/h3-10,13,24H,11-12H2,1-2H3
InChIKeyIAWGECLFNBJXKG-UHFFFAOYSA-N
XLogP3.58
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide
CID 9826770
4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide
CID 44450356
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(2-fluoro-phenyl)-N-methyl-benzamide
CID 10917921
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(4-fluoro-phenyl)-N-methyl-benzamide
CID 10994558
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-ethyl-N-phenyl-benzamide
CID 11113643
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-(2-trifluoromethyl-phenyl)-benzamide
CID 11763239
3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide
CID 22866888
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(4-fluoro-phenyl)-N-propyl-benzamide
CID 11734011
(2S)-2-amino-N-[(4R)-1-benzoyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 127049276
Sklb-C05
CID 137796972
6-(5-Hydroxy-1,3-dioxo-6-piperidin-1-ylmethyl-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (2-amino-phenyl)-amide
CID 5048
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide
CID 10322458

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one (CID 166635773) is 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one is CN(C)CCn1c(=O)c2cc(O)ccc2c2ccc3ccccc3c21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one?
The InChIKey is IAWGECLFNBJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22(2)11-12-23-20-16-6-4-3-5-14(16)7-9-18(20)17-10-8-15(24)13-19(17)21(23)25/h3-10,13,24H,11-12H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one?
5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one has a molecular weight of 332.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one is sourced from PubChem (CID 166635773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).