6-(1-ethoxyethyl)-3-methylphenanthridine

C18H19NO — CID 132838704

IUPAC6-(1-ethoxyethyl)-3-methylphenanthridine
SMILESCCOC(C)c1nc2cc(C)ccc2c2ccccc12
InChIInChI=1S/C18H19NO/c1-4-20-13(3)18-16-8-6-5-7-14(16)15-10-9-12(2)11-17(15)19-18/h5-11,13H,4H2,1-3H3
InChIKeyTVQBTPVPWBGEAJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.79
Rot. Bonds3

About 6-(1-ethoxyethyl)-3-methylphenanthridine

6-(1-ethoxyethyl)-3-methylphenanthridine (PubChem CID 132838704) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(1-ethoxyethyl)-3-methylphenanthridine.

Molecular Properties

Compound Name6-(1-ethoxyethyl)-3-methylphenanthridine
PubChem CID132838704
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-(1-ethoxyethyl)-3-methylphenanthridine
SMILESCCOC(C)c1nc2cc(C)ccc2c2ccccc12
InChIInChI=1S/C18H19NO/c1-4-20-13(3)18-16-8-6-5-7-14(16)15-10-9-12(2)11-17(15)19-18/h5-11,13H,4H2,1-3H3
InChIKeyTVQBTPVPWBGEAJ-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-methylphenanthro[9,10-b]quinoline
CID 14913507
6-(1-ethoxyethyl)-11-methylindolo[3,2-c]quinoline
CID 86234964
methane;3-methylbenzo[c]cinnoline
CID 157102255
4-(chloromethyl)-2,7-dimethylquinoline
CID 23001553
2,7-dimethyltriphenylene
CID 23261750
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
3,8-dimethyl-6-octoxyphenanthridine
CID 59683845
ethane;2-methyltriphenylene
CID 91569125
2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
CID 55651536
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
6-(1-phenylethyl)phenanthridine
CID 154722213

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethyl)-3-methylphenanthridine?
The IUPAC name of 6-(1-ethoxyethyl)-3-methylphenanthridine (CID 132838704) is 6-(1-ethoxyethyl)-3-methylphenanthridine.
What is the SMILES notation for 6-(1-ethoxyethyl)-3-methylphenanthridine?
The canonical SMILES for 6-(1-ethoxyethyl)-3-methylphenanthridine is CCOC(C)c1nc2cc(C)ccc2c2ccccc12.
What is the InChIKey of 6-(1-ethoxyethyl)-3-methylphenanthridine?
The InChIKey is TVQBTPVPWBGEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-4-20-13(3)18-16-8-6-5-7-14(16)15-10-9-12(2)11-17(15)19-18/h5-11,13H,4H2,1-3H3.
What are the key properties of 6-(1-ethoxyethyl)-3-methylphenanthridine?
6-(1-ethoxyethyl)-3-methylphenanthridine has a molecular weight of 265.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethyl)-3-methylphenanthridine is sourced from PubChem (CID 132838704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).