2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline

C13H16N2 — CID 67877650

IUPAC2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline
SMILESCC1CCc2cc3c(cc2=N1)CCCN=3
InChIInChI=1S/C13H16N2/c1-9-4-5-11-7-12-10(3-2-6-14-12)8-13(11)15-9/h7-9H,2-6H2,1H3
InChIKeySWTYGDJAGHRINV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.21
Rot. Bonds

About 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline

2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline (PubChem CID 67877650) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline.

Molecular Properties

Compound Name2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline
PubChem CID67877650
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline
SMILESCC1CCc2cc3c(cc2=N1)CCCN=3
InChIInChI=1S/C13H16N2/c1-9-4-5-11-7-12-10(3-2-6-14-12)8-13(11)15-9/h7-9H,2-6H2,1H3
InChIKeySWTYGDJAGHRINV-UHFFFAOYSA-N
XLogP1.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline?
The IUPAC name of 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline (CID 67877650) is 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline.
What is the SMILES notation for 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline?
The canonical SMILES for 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline is CC1CCc2cc3c(cc2=N1)CCCN=3.
What is the InChIKey of 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline?
The InChIKey is SWTYGDJAGHRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-4-5-11-7-12-10(3-2-6-14-12)8-13(11)15-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline?
2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline has a molecular weight of 200.28 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline is sourced from PubChem (CID 67877650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).