6-cyclobutyl-2-methylphenanthridine

C18H17N — CID 132849259

IUPAC6-cyclobutyl-2-methylphenanthridine
SMILESCc1ccc2nc(C3CCC3)c3ccccc3c2c1
InChIInChI=1S/C18H17N/c1-12-9-10-17-16(11-12)14-7-2-3-8-15(14)18(19-17)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3
InChIKeyJFCJIOQURGDLGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.96
Rot. Bonds1

About 6-cyclobutyl-2-methylphenanthridine

6-cyclobutyl-2-methylphenanthridine (PubChem CID 132849259) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-cyclobutyl-2-methylphenanthridine.

Molecular Properties

Compound Name6-cyclobutyl-2-methylphenanthridine
PubChem CID132849259
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name6-cyclobutyl-2-methylphenanthridine
SMILESCc1ccc2nc(C3CCC3)c3ccccc3c2c1
InChIInChI=1S/C18H17N/c1-12-9-10-17-16(11-12)14-7-2-3-8-15(14)18(19-17)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3
InChIKeyJFCJIOQURGDLGI-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-cyclopropyl-6-methylquinazoline
CID 105473418
6-cyclohexyl-3-fluorophenanthridine
CID 102531924
6-cyclohexylphenanthridine-8-carbonitrile
CID 102531920
2-cyclohexyl-4-methylquinoline
CID 175925044
2-cyclododecyl-4-methylquinoline
CID 10566873
2-methylphenanthridine
CID 14384826
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
CID 102237067
4-cyclohexylquinazolin-2-amine
CID 66520631
2,7-dimethyltriphenylene
CID 23261750
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-methylphenanthridine?
The IUPAC name of 6-cyclobutyl-2-methylphenanthridine (CID 132849259) is 6-cyclobutyl-2-methylphenanthridine.
What is the SMILES notation for 6-cyclobutyl-2-methylphenanthridine?
The canonical SMILES for 6-cyclobutyl-2-methylphenanthridine is Cc1ccc2nc(C3CCC3)c3ccccc3c2c1.
What is the InChIKey of 6-cyclobutyl-2-methylphenanthridine?
The InChIKey is JFCJIOQURGDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-9-10-17-16(11-12)14-7-2-3-8-15(14)18(19-17)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3.
What are the key properties of 6-cyclobutyl-2-methylphenanthridine?
6-cyclobutyl-2-methylphenanthridine has a molecular weight of 247.34 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-methylphenanthridine is sourced from PubChem (CID 132849259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).