2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline

C29H37N3 — CID 157487706

IUPAC2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccccc21.CN1CCc2ccccc2C1.CN1Cc2ccccc2C1
InChIInChI=1S/2C10H13N.C9H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-6-8-4-2-3-5-9(8)7-10/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3
InChIKeyBWXGHELRKQQUCV-UHFFFAOYSA-N
MW427.64 g/mol
LogP5.38
Rot. Bonds

About 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline

2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 157487706) has the molecular formula C29H37N3 and a molecular weight of 427.64 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
PubChem CID157487706
Molecular FormulaC29H37N3
Molecular Weight427.64 g/mol
Exact Mass427.30
IUPAC Name2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccccc21.CN1CCc2ccccc2C1.CN1Cc2ccccc2C1
InChIInChI=1S/2C10H13N.C9H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-6-8-4-2-3-5-9(8)7-10/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3
InChIKeyBWXGHELRKQQUCV-UHFFFAOYSA-N
XLogP5.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.64
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
1-methyl-3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-3,4-dihydro-2H-quinoline
CID 129289153
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline (CID 157487706) is 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline is CN1CCCc2ccccc21.CN1CCc2ccccc2C1.CN1Cc2ccccc2C1.
What is the InChIKey of 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is BWXGHELRKQQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N.C9H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-6-8-4-2-3-5-9(8)7-10/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline?
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 427.64 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 157487706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).