N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine

C16H18N4 — CID 103135765

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H18N4/c1-11-10-13(12-6-4-5-7-14(12)18-11)16(17-2)15-8-9-20(3)19-15/h4-10,16-17H,1-3H3
InChIKeyIDUSINOOFGNUAW-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine

N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine (PubChem CID 103135765) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
PubChem CID103135765
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H18N4/c1-11-10-13(12-6-4-5-7-14(12)18-11)16(17-2)15-8-9-20(3)19-15/h4-10,16-17H,1-3H3
InChIKeyIDUSINOOFGNUAW-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105173392
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140117

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine (CID 103135765) is N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine is CNC(c1ccn(C)n1)c1cc(C)nc2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine?
The InChIKey is IDUSINOOFGNUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-10-13(12-6-4-5-7-14(12)18-11)16(17-2)15-8-9-20(3)19-15/h4-10,16-17H,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine?
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 103135765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).