4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline

C17H17NO — CID 146534951

IUPAC4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
SMILESCOc1cccc(C2=CN(C)Cc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-18-11-14-6-3-4-9-16(14)17(12-18)13-7-5-8-15(10-13)19-2/h3-10,12H,11H2,1-2H3
InChIKeyKLNSYTAAMUFLOV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.53
Rot. Bonds2

About 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline

4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline (PubChem CID 146534951) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
PubChem CID146534951
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
SMILESCOc1cccc(C2=CN(C)Cc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-18-11-14-6-3-4-9-16(14)17(12-18)13-7-5-8-15(10-13)19-2/h3-10,12H,11H2,1-2H3
InChIKeyKLNSYTAAMUFLOV-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-methyl-4-phenyl-1H-isoquinoline
CID 11601267
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
6-(3-methoxyphenyl)-1-methyl-2,3-dihydroazepine
CID 141065853
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione
CID 11381128
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
CID 91868783
CID 91868783
7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 11602362

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline?
The IUPAC name of 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline (CID 146534951) is 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline is COc1cccc(C2=CN(C)Cc3ccccc32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline?
The InChIKey is KLNSYTAAMUFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-11-14-6-3-4-9-16(14)17(12-18)13-7-5-8-15(10-13)19-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline?
4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline is sourced from PubChem (CID 146534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).