2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide

C18H18N2O2 — CID 178050362

IUPAC2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide
SMILESCCc1ccc2c(c1)c(=O)[nH]c1ccc(CC(=O)NC)cc12
InChIInChI=1S/C18H18N2O2/c1-3-11-4-6-13-14-9-12(10-17(21)19-2)5-7-16(14)20-18(22)15(13)8-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJVNQTLMITAXRKN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds3

About 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide

2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide (PubChem CID 178050362) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide
PubChem CID178050362
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide
SMILESCCc1ccc2c(c1)c(=O)[nH]c1ccc(CC(=O)NC)cc12
InChIInChI=1S/C18H18N2O2/c1-3-11-4-6-13-14-9-12(10-17(21)19-2)5-7-16(14)20-18(22)15(13)8-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJVNQTLMITAXRKN-UHFFFAOYSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
CID 178050328
ethane;2,3,6,7,10,11-hexaethyltriphenylene;2,6,10-triethyltriphenylene
CID 158781972
5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214108
N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
CID 169411661
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473
6-ethyl-1,2-dihydroindazol-3-one
CID 70315708
1,7-diethyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 170672723
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
2-(ethylamino)-5H-phenanthridin-6-one
CID 16728034

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide?
The IUPAC name of 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide (CID 178050362) is 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide is CCc1ccc2c(c1)c(=O)[nH]c1ccc(CC(=O)NC)cc12.
What is the InChIKey of 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide?
The InChIKey is JVNQTLMITAXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11-4-6-13-14-9-12(10-17(21)19-2)5-7-16(14)20-18(22)15(13)8-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide?
2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide is sourced from PubChem (CID 178050362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).