methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate

C18H16N4O2 — CID 66576773

IUPACmethyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1
InChIInChI=1S/C18H16N4O2/c1-11-20-21-17-6-4-13-7-12(3-5-16(13)22(11)17)14-8-15(10-19-9-14)18(23)24-2/h3,5,7-10H,4,6H2,1-2H3
InChIKeyCRQOWDFBJSYIHC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds2

About methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate

methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate (PubChem CID 66576773) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate
PubChem CID66576773
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Namemethyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1
InChIInChI=1S/C18H16N4O2/c1-11-20-21-17-6-4-13-7-12(3-5-16(13)22(11)17)14-8-15(10-19-9-14)18(23)24-2/h3,5,7-10H,4,6H2,1-2H3
InChIKeyCRQOWDFBJSYIHC-UHFFFAOYSA-N
XLogP2.52
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate 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

1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanone
CID 66576932
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
CID 71304429
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
N-methyl-2-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)but-2-en-1-imine
CID 123182163
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
CID 177119381
methyl 5-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-3-carboxylate
CID 87562558
7-[3-(2-ethoxypropan-2-yl)-2,3-dihydropyridin-5-yl]-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 123393690

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate (CID 66576773) is methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1.
What is the InChIKey of methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate?
The InChIKey is CRQOWDFBJSYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-20-21-17-6-4-13-7-12(3-5-16(13)22(11)17)14-8-15(10-19-9-14)18(23)24-2/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate?
methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxylate is sourced from PubChem (CID 66576773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).