(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine

C16H18N4O — CID 105186319

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10-8-12(11-6-4-5-7-13(11)19-10)15(17)16-14(21-3)9-18-20(16)2/h4-9,15H,17H2,1-3H3
InChIKeyVTTVBRJFJYMSSE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.33
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine

(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine (PubChem CID 105186319) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
PubChem CID105186319
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10-8-12(11-6-4-5-7-13(11)19-10)15(17)16-14(21-3)9-18-20(16)2/h4-9,15H,17H2,1-3H3
InChIKeyVTTVBRJFJYMSSE-UHFFFAOYSA-N
XLogP2.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine 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

(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047086
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
(5-methyl-3-pyridinyl)-(2-methylquinolin-4-yl)methanamine
CID 105173927
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105186353
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
4-[1-(4-methoxyphenyl)ethyl]-2-methylquinoline
CID 123434354
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine (CID 105186319) is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine is COc1cnn(C)c1C(N)c1cc(C)nc2ccccc12.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine?
The InChIKey is VTTVBRJFJYMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-8-12(11-6-4-5-7-13(11)19-10)15(17)16-14(21-3)9-18-20(16)2/h4-9,15H,17H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 105186319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).