4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine

C12H10N2O — CID 167521509

IUPAC4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cncc(C)c12
InChIInChI=1S/C12H10N2O/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3/h1,5-7H,2-3H3
InChIKeyCTEZLSIDSTVLDK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.93
Rot. Bonds1

About 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine

4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine (PubChem CID 167521509) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine.

Molecular Properties

Compound Name4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
PubChem CID167521509
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cncc(C)c12
InChIInChI=1S/C12H10N2O/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3/h1,5-7H,2-3H3
InChIKeyCTEZLSIDSTVLDK-UHFFFAOYSA-N
XLogP1.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethynyl-3-methoxy-5-methyl-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

Related Compounds

5-Bromo-1-methoxy-2,7-naphthyridine
CID 137928487
2-Methoxy-5-methyl-1,6-naphthyridine
CID 10080864
1-Methoxypyrido[3,4-d]pyridazine
CID 154775
5-Ethynyl-2-methoxy-3-methylpyridine
CID 71300062
4-Methoxypyrido[3,4-d]pyridazine
CID 154776
2-Methoxy-3'-methyl-3,4'-bipyridine
CID 56704755
6-Methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 59164394
Pyrano[4,3,2-de][1,6]naphthyridine
CID 129857974
Pyrido[3,4-d]pyridazine, 1,4-dimethoxy-
CID 12224493
1-[(2-Methoxy-3-pyridyl)methyl]-4-(1-ethynyl)piperidine
CID 22678484
2-Tert-butyl-6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 44227672
2-Methoxy-3-pyridin-4-ylpyridine
CID 46315980

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The IUPAC name of 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine (CID 167521509) is 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine.
What is the SMILES notation for 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The canonical SMILES for 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine is C#Cc1c(OC)ncc2cncc(C)c12.
What is the InChIKey of 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The InChIKey is CTEZLSIDSTVLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3/h1,5-7H,2-3H3.
What are the key properties of 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine has a molecular weight of 198.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine is sourced from PubChem (CID 167521509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).