4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C9H12N2 — CID 55288006

IUPAC4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1CCNc2ncccc21
InChIInChI=1S/C9H12N2/c1-7-4-6-11-9-8(7)3-2-5-10-9/h2-3,5,7H,4,6H2,1H3,(H,10,11)
InChIKeyVJHCQDMNLWGRSF-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.00
Rot. Bonds

About 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 55288006) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID55288006
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1CCNc2ncccc21
InChIInChI=1S/C9H12N2/c1-7-4-6-11-9-8(7)3-2-5-10-9/h2-3,5,7H,4,6H2,1H3,(H,10,11)
InChIKeyVJHCQDMNLWGRSF-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 55288006) is 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is CC1CCNc2ncccc21.
What is the InChIKey of 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is VJHCQDMNLWGRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-6-11-9-8(7)3-2-5-10-9/h2-3,5,7H,4,6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 148.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 55288006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).