2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid

C21H26N4O4 — CID 154918694

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid
SMILESCOc1cc2nc(N3CC(n4nc(C)cc4C)C3)cc(C)c2cc1OC.O=CO
InChIInChI=1S/C20H24N4O2.CH2O2/c1-12-6-20(21-17-9-19(26-5)18(25-4)8-16(12)17)23-10-15(11-23)24-14(3)7-13(2)22-24;2-1-3/h6-9,15H,10-11H2,1-5H3;1H,(H,2,3)
InChIKeyADLPVWMXWYXIOE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.14
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid (PubChem CID 154918694) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid
PubChem CID154918694
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid
SMILESCOc1cc2nc(N3CC(n4nc(C)cc4C)C3)cc(C)c2cc1OC.O=CO
InChIInChI=1S/C20H24N4O2.CH2O2/c1-12-6-20(21-17-9-19(26-5)18(25-4)8-16(12)17)23-10-15(11-23)24-14(3)7-13(2)22-24;2-1-3/h6-9,15H,10-11H2,1-5H3;1H,(H,2,3)
InChIKeyADLPVWMXWYXIOE-UHFFFAOYSA-N
XLogP3.14
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid 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

2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
CID 95202338
formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 154918425
[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811354
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
CID 3683269
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
CID 72878008
9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138385159
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
CID 82577979
formic acid;(1S,5R,6R)-3-(4-methyl-6-methylsulfanylquinolin-2-yl)-3-azabicyclo[3.2.0]heptan-6-ol
CID 154921701
(3S,4R)-1-(7-fluoro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol;formic acid
CID 155972381

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid (CID 154918694) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid is COc1cc2nc(N3CC(n4nc(C)cc4C)C3)cc(C)c2cc1OC.O=CO.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid?
The InChIKey is ADLPVWMXWYXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.CH2O2/c1-12-6-20(21-17-9-19(26-5)18(25-4)8-16(12)17)23-10-15(11-23)24-14(3)7-13(2)22-24;2-1-3/h6-9,15H,10-11H2,1-5H3;1H,(H,2,3).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid has a molecular weight of 398.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid is sourced from PubChem (CID 154918694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).