2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline

C19H22N2 — CID 81218098

IUPAC2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1c1cccc2c1CCNC2
InChIInChI=1S/C19H22N2/c1-14-9-10-15-5-2-3-7-18(15)21(14)19-8-4-6-16-13-20-12-11-17(16)19/h2-8,14,20H,9-13H2,1H3
InChIKeyWRYIWLUKGUFHIA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.81
Rot. Bonds1

About 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline

2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline (PubChem CID 81218098) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
PubChem CID81218098
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1c1cccc2c1CCNC2
InChIInChI=1S/C19H22N2/c1-14-9-10-15-5-2-3-7-18(15)21(14)19-8-4-6-16-13-20-12-11-17(16)19/h2-8,14,20H,9-13H2,1H3
InChIKeyWRYIWLUKGUFHIA-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214550
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one
CID 156565209
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
2-methyl-3,4-dihydro-2H-quinolin-1-amine
CID 10103459
5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81215388
1-[3-chloro-2-(chloromethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 43121155
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63516991
1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 43101076
(1S)-1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78930955
N-methyl-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 43284088
5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
CID 104531976
N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
CID 43188172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline (CID 81218098) is 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1c1cccc2c1CCNC2.
What is the InChIKey of 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is WRYIWLUKGUFHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-9-10-15-5-2-3-7-18(15)21(14)19-8-4-6-16-13-20-12-11-17(16)19/h2-8,14,20H,9-13H2,1H3.
What are the key properties of 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 278.40 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 81218098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).