2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride

C16H16ClNO2 — CID 175751671

IUPAC2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride
SMILESCOc1cc(C)c2[nH]c(=O)c3ccc(C)cc3c2c1.Cl
InChIInChI=1S/C16H15NO2.ClH/c1-9-4-5-12-13(6-9)14-8-11(19-3)7-10(2)15(14)17-16(12)18;/h4-8H,1-3H3,(H,17,18);1H
InChIKeyOVELLXDQEVGZHO-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.73
Rot. Bonds1

About 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride

2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride (PubChem CID 175751671) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride.

Molecular Properties

Compound Name2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride
PubChem CID175751671
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride
SMILESCOc1cc(C)c2[nH]c(=O)c3ccc(C)cc3c2c1.Cl
InChIInChI=1S/C16H15NO2.ClH/c1-9-4-5-12-13(6-9)14-8-11(19-3)7-10(2)15(14)17-16(12)18;/h4-8H,1-3H3,(H,17,18);1H
InChIKeyOVELLXDQEVGZHO-UHFFFAOYSA-N
XLogP3.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 407032
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
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N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
N-(4-methoxyphenyl)naphthalene-1-carboxamide
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CID 750181
3-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 790574
(3-methoxyphenyl)-N-(2-phenylphenyl)carboxamide
CID 2707579
2-(2,4-dimethylphenyl)-7-methoxy-4,4-dimethyl-1,3(2H,4H)-isoquinolinedione
CID 7037502
(3-methoxyphenyl)(2,2,4,7-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 3496642
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 10066616
(S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 10620719

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride?
The IUPAC name of 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride (CID 175751671) is 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride.
What is the SMILES notation for 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride?
The canonical SMILES for 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride is COc1cc(C)c2[nH]c(=O)c3ccc(C)cc3c2c1.Cl.
What is the InChIKey of 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride?
The InChIKey is OVELLXDQEVGZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.ClH/c1-9-4-5-12-13(6-9)14-8-11(19-3)7-10(2)15(14)17-16(12)18;/h4-8H,1-3H3,(H,17,18);1H.
What are the key properties of 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride?
2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride is sourced from PubChem (CID 175751671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).