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

C12H16N2O2 — CID 167049883

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
SMILESCOc1cc2c(cc1NC=O)CN(C)CC2
InChIInChI=1S/C12H16N2O2/c1-14-4-3-9-6-12(16-2)11(13-8-15)5-10(9)7-14/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeySKNLLGOAAOTUBB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.25
Rot. Bonds3

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

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide (PubChem CID 167049883) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
PubChem CID167049883
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
SMILESCOc1cc2c(cc1NC=O)CN(C)CC2
InChIInChI=1S/C12H16N2O2/c1-14-4-3-9-6-12(16-2)11(13-8-15)5-10(9)7-14/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeySKNLLGOAAOTUBB-UHFFFAOYSA-N
XLogP1.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835
3-[(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-(methylamino)-1,2,4-triazine-6-carboxamide
CID 175575492
N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide
CID 121269095
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171905
7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83956913
5-amino-8-cyclohexyl-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 177309638
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 163291420
6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline
CID 155395771

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide (CID 167049883) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide is COc1cc2c(cc1NC=O)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide?
The InChIKey is SKNLLGOAAOTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-4-3-9-6-12(16-2)11(13-8-15)5-10(9)7-14/h5-6,8H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide has a molecular weight of 220.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide is sourced from PubChem (CID 167049883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).