8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine

C19H21NO2 — CID 155017340

IUPAC8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine
SMILESC/C=C/c1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C19H21NO2/c1-5-7-13-8-6-9-15-16-11-18(22-4)17(21-3)10-14(16)12-20(2)19(13)15/h5-11H,12H2,1-4H3/b7-5+
InChIKeyMXKODZVYRMIJIG-FNORWQNLSA-N
MW295.38 g/mol
LogP4.35
Rot. Bonds3

About 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine

8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine (PubChem CID 155017340) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine.

Molecular Properties

Compound Name8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine
PubChem CID155017340
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine
SMILESC/C=C/c1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C19H21NO2/c1-5-7-13-8-6-9-15-16-11-18(22-4)17(21-3)10-14(16)12-20(2)19(13)15/h5-11H,12H2,1-4H3/b7-5+
InChIKeyMXKODZVYRMIJIG-FNORWQNLSA-N
XLogP4.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
CID 118954387
1-[[9-[1-amino-2-(2H-triazol-4-yl)pentoxy]-4-ethenyl-5-methyl-6H-phenanthridin-8-yl]oxy]-2-(2H-triazol-4-yl)pentan-1-amine
CID 118954377
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
CID 102241239
4,5-dimethyl-6H-phenanthridin-8-ol
CID 155017439
1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
CID 46906491
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 70537938
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13184641
6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
CID 24945105

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine?
The IUPAC name of 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine (CID 155017340) is 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine.
What is the SMILES notation for 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine?
The canonical SMILES for 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine is C/C=C/c1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2.
What is the InChIKey of 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine?
The InChIKey is MXKODZVYRMIJIG-FNORWQNLSA-N. The full InChI is InChI=1S/C19H21NO2/c1-5-7-13-8-6-9-15-16-11-18(22-4)17(21-3)10-14(16)12-20(2)19(13)15/h5-11H,12H2,1-4H3/b7-5+.
What are the key properties of 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine?
8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine has a molecular weight of 295.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine is sourced from PubChem (CID 155017340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).