6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine

C12H18N2O — CID 139462130

IUPAC6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CNC(C(C)C)C2
InChIInChI=1S/C12H18N2O/c1-8(2)11-4-9-5-12(15-3)14-7-10(9)6-13-11/h5,7-8,11,13H,4,6H2,1-3H3
InChIKeyPWISEORVAMACBS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds2

About 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine

6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine (PubChem CID 139462130) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
PubChem CID139462130
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CNC(C(C)C)C2
InChIInChI=1S/C12H18N2O/c1-8(2)11-4-9-5-12(15-3)14-7-10(9)6-13-11/h5,7-8,11,13H,4,6H2,1-3H3
InChIKeyPWISEORVAMACBS-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The IUPAC name of 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine (CID 139462130) is 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine is COc1cc2c(cn1)CNC(C(C)C)C2.
What is the InChIKey of 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The InChIKey is PWISEORVAMACBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)11-4-9-5-12(15-3)14-7-10(9)6-13-11/h5,7-8,11,13H,4,6H2,1-3H3.
What are the key properties of 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine has a molecular weight of 206.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 139462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).