N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C16H23N3O — CID 106542308

IUPACN'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccnc(N(C)CCNC(C)C)c2c1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-10-19(3)16-15-11-14(20-4)6-5-13(15)7-8-18-16/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyUXWZIPMRSYIAQD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds6

About N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 106542308) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID106542308
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccnc(N(C)CCNC(C)C)c2c1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-10-19(3)16-15-11-14(20-4)6-5-13(15)7-8-18-16/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyUXWZIPMRSYIAQD-UHFFFAOYSA-N
XLogP2.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine 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

1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
2-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoic acid
CID 106536110
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031

Frequently Asked Questions

What is the IUPAC name of N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 106542308) is N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is COc1ccc2ccnc(N(C)CCNC(C)C)c2c1.
What is the InChIKey of N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is UXWZIPMRSYIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)17-9-10-19(3)16-15-11-14(20-4)6-5-13(15)7-8-18-16/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106542308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).