6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline

C19H18N2O — CID 56865850

IUPAC6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
SMILESCOc1ccc2ncc(-c3cccc4c3CCNC4)cc2c1
InChIInChI=1S/C19H18N2O/c1-22-16-5-6-19-14(10-16)9-15(12-21-19)17-4-2-3-13-11-20-8-7-18(13)17/h2-6,9-10,12,20H,7-8,11H2,1H3
InChIKeyLJPVWKGXRGSDPV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.56
Rot. Bonds2

About 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline

6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline (PubChem CID 56865850) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
PubChem CID56865850
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
SMILESCOc1ccc2ncc(-c3cccc4c3CCNC4)cc2c1
InChIInChI=1S/C19H18N2O/c1-22-16-5-6-19-14(10-16)9-15(12-21-19)17-4-2-3-13-11-20-8-7-18(13)17/h2-6,9-10,12,20H,7-8,11H2,1H3
InChIKeyLJPVWKGXRGSDPV-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 82471113
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
6-methoxy-3-(1H-pyrazol-5-yl)quinoline
CID 50962357
6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
CID 56864814
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781910
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780
2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile
CID 56868045
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline?
The IUPAC name of 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline (CID 56865850) is 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline.
What is the SMILES notation for 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline?
The canonical SMILES for 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline is COc1ccc2ncc(-c3cccc4c3CCNC4)cc2c1.
What is the InChIKey of 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline?
The InChIKey is LJPVWKGXRGSDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-16-5-6-19-14(10-16)9-15(12-21-19)17-4-2-3-13-11-20-8-7-18(13)17/h2-6,9-10,12,20H,7-8,11H2,1H3.
What are the key properties of 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline?
6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline has a molecular weight of 290.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline is sourced from PubChem (CID 56865850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).