azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline

C18H20N2O — CID 175418792

IUPACazane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
SMILESCOc1ccc(-c2nc(C)c3ccccc3c2C)cc1.N
InChIInChI=1S/C18H17NO.H3N/c1-12-16-6-4-5-7-17(16)13(2)19-18(12)14-8-10-15(20-3)11-9-14;/h4-11H,1-3H3;1H3
InChIKeyWVFRLCJPSZWBLX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.69
Rot. Bonds2

About azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline

azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline (PubChem CID 175418792) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline.

Molecular Properties

Compound Nameazane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
PubChem CID175418792
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Nameazane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
SMILESCOc1ccc(-c2nc(C)c3ccccc3c2C)cc1.N
InChIInChI=1S/C18H17NO.H3N/c1-12-16-6-4-5-7-17(16)13(2)19-18(12)14-8-10-15(20-3)11-9-14;/h4-11H,1-3H3;1H3
InChIKeyWVFRLCJPSZWBLX-UHFFFAOYSA-N
XLogP4.69
TPSA57.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;3-(4-bromophenyl)-1,4-dimethylisoquinoline
CID 175418781
3-(4-methoxyphenyl)-1-methyl-4-phenylsulfanylisoquinoline
CID 138974013
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone
CID 71619289
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
2-(4-methoxyphenyl)-3,4-dimethyl-[1]benzothiolo[2,3-b]pyridine
CID 141039356
3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine
CID 169124555
1,3,4-trimethylisoquinoline
CID 59961835
2,6-bis(4-methoxyphenyl)-3,5-dimethyl-4-(2-phenylethynyl)pyridine
CID 2853967
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154

Frequently Asked Questions

What is the IUPAC name of azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline?
The IUPAC name of azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline (CID 175418792) is azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline.
What is the SMILES notation for azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline?
The canonical SMILES for azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline is COc1ccc(-c2nc(C)c3ccccc3c2C)cc1.N.
What is the InChIKey of azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline?
The InChIKey is WVFRLCJPSZWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO.H3N/c1-12-16-6-4-5-7-17(16)13(2)19-18(12)14-8-10-15(20-3)11-9-14;/h4-11H,1-3H3;1H3.
What are the key properties of azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline?
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline has a molecular weight of 280.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline is sourced from PubChem (CID 175418792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).