methyl 7-methylphenanthridine-9-carboxylate

C16H13NO2 — CID 46873131

IUPACmethyl 7-methylphenanthridine-9-carboxylate
SMILESCOC(=O)c1cc(C)c2cnc3ccccc3c2c1
InChIInChI=1S/C16H13NO2/c1-10-7-11(16(18)19-2)8-13-12-5-3-4-6-15(12)17-9-14(10)13/h3-9H,1-2H3
InChIKeyPQIHNFXFDSGGIV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.48
Rot. Bonds1

About methyl 7-methylphenanthridine-9-carboxylate

methyl 7-methylphenanthridine-9-carboxylate (PubChem CID 46873131) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 7-methylphenanthridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-methylphenanthridine-9-carboxylate
PubChem CID46873131
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Namemethyl 7-methylphenanthridine-9-carboxylate
SMILESCOC(=O)c1cc(C)c2cnc3ccccc3c2c1
InChIInChI=1S/C16H13NO2/c1-10-7-11(16(18)19-2)8-13-12-5-3-4-6-15(12)17-9-14(10)13/h3-9H,1-2H3
InChIKeyPQIHNFXFDSGGIV-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
CID 170744662
methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
CID 143363540
methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate
CID 11716181
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518
methyl phenazine-2-carboxylate
CID 617185

Frequently Asked Questions

What is the IUPAC name of methyl 7-methylphenanthridine-9-carboxylate?
The IUPAC name of methyl 7-methylphenanthridine-9-carboxylate (CID 46873131) is methyl 7-methylphenanthridine-9-carboxylate.
What is the SMILES notation for methyl 7-methylphenanthridine-9-carboxylate?
The canonical SMILES for methyl 7-methylphenanthridine-9-carboxylate is COC(=O)c1cc(C)c2cnc3ccccc3c2c1.
What is the InChIKey of methyl 7-methylphenanthridine-9-carboxylate?
The InChIKey is PQIHNFXFDSGGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-7-11(16(18)19-2)8-13-12-5-3-4-6-15(12)17-9-14(10)13/h3-9H,1-2H3.
What are the key properties of methyl 7-methylphenanthridine-9-carboxylate?
methyl 7-methylphenanthridine-9-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methylphenanthridine-9-carboxylate is sourced from PubChem (CID 46873131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).