3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine

C20H22N4 — CID 146499241

IUPAC3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
SMILESCc1cc2cc(-c3cnc4c(c3C)NCCC4)c(C)c(N)c2cn1
InChIInChI=1S/C20H22N4/c1-11-7-14-8-15(12(2)19(21)17(14)10-23-11)16-9-24-18-5-4-6-22-20(18)13(16)3/h7-10,22H,4-6,21H2,1-3H3
InChIKeyLXTHANMARUCLHB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.16
Rot. Bonds1

About 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine

3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine (PubChem CID 146499241) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
PubChem CID146499241
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
SMILESCc1cc2cc(-c3cnc4c(c3C)NCCC4)c(C)c(N)c2cn1
InChIInChI=1S/C20H22N4/c1-11-7-14-8-15(12(2)19(21)17(14)10-23-11)16-9-24-18-5-4-6-22-20(18)13(16)3/h7-10,22H,4-6,21H2,1-3H3
InChIKeyLXTHANMARUCLHB-UHFFFAOYSA-N
XLogP4.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine?
The IUPAC name of 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine (CID 146499241) is 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine.
What is the SMILES notation for 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine?
The canonical SMILES for 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine is Cc1cc2cc(-c3cnc4c(c3C)NCCC4)c(C)c(N)c2cn1.
What is the InChIKey of 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine?
The InChIKey is LXTHANMARUCLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-11-7-14-8-15(12(2)19(21)17(14)10-23-11)16-9-24-18-5-4-6-22-20(18)13(16)3/h7-10,22H,4-6,21H2,1-3H3.
What are the key properties of 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine?
3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine has a molecular weight of 318.42 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine is sourced from PubChem (CID 146499241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).