6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine

C20H21N3 — CID 175736813

IUPAC6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine
SMILESCc1ccc2c(Nc3ccc4c(c3)CN(C)CC4)nccc2c1
InChIInChI=1S/C20H21N3/c1-14-3-6-19-16(11-14)7-9-21-20(19)22-18-5-4-15-8-10-23(2)13-17(15)12-18/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,21,22)
InChIKeyLXQGSUAAVLOLNA-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.27
Rot. Bonds2

About 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine

6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine (PubChem CID 175736813) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine
PubChem CID175736813
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine
SMILESCc1ccc2c(Nc3ccc4c(c3)CN(C)CC4)nccc2c1
InChIInChI=1S/C20H21N3/c1-14-3-6-19-16(11-14)7-9-21-20(19)22-18-5-4-15-8-10-23(2)13-17(15)12-18/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,21,22)
InChIKeyLXQGSUAAVLOLNA-UHFFFAOYSA-N
XLogP4.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 141366646
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
1-anilinoisoquinoline-6-carboxylic acid
CID 82571407
5-fluoro-4-N-methyl-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrimidine-2,4-diamine
CID 145095496
3-[[5-methyl-4-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 163925586
benzene;buta-1,3-diene;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;prop-1-ene
CID 155698278
N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline
CID 143613959
1-(5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-yl)-3-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2,4-triazole-3,5-diamine
CID 25106487
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
1,6-dimethylisoquinoline;ethane
CID 156751069
2-ethyl-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 142557305

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine?
The IUPAC name of 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine (CID 175736813) is 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine is Cc1ccc2c(Nc3ccc4c(c3)CN(C)CC4)nccc2c1.
What is the InChIKey of 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine?
The InChIKey is LXQGSUAAVLOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-14-3-6-19-16(11-14)7-9-21-20(19)22-18-5-4-15-8-10-23(2)13-17(15)12-18/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine?
6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine has a molecular weight of 303.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isoquinolin-1-amine is sourced from PubChem (CID 175736813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).