N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine

C16H18N4 — CID 105113637

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
SMILESCNC(Cc1cnn(C)c1)c1cccc2cccnc12
InChIInChI=1S/C16H18N4/c1-17-15(9-12-10-19-20(2)11-12)14-7-3-5-13-6-4-8-18-16(13)14/h3-8,10-11,15,17H,9H2,1-2H3
InChIKeyBGGNRZHUCPQYNX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.47
Rot. Bonds4

About N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine (PubChem CID 105113637) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
PubChem CID105113637
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
SMILESCNC(Cc1cnn(C)c1)c1cccc2cccnc12
InChIInChI=1S/C16H18N4/c1-17-15(9-12-10-19-20(2)11-12)14-7-3-5-13-6-4-8-18-16(13)14/h3-8,10-11,15,17H,9H2,1-2H3
InChIKeyBGGNRZHUCPQYNX-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
CID 103029868
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine (CID 105113637) is N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine is CNC(Cc1cnn(C)c1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine?
The InChIKey is BGGNRZHUCPQYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-17-15(9-12-10-19-20(2)11-12)14-7-3-5-13-6-4-8-18-16(13)14/h3-8,10-11,15,17H,9H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine is sourced from PubChem (CID 105113637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).