N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine

C17H20N4 — CID 103029868

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cccc2cccnc12
InChIInChI=1S/C17H20N4/c1-18-16(9-8-13-11-20-21(2)12-13)15-7-3-5-14-6-4-10-19-17(14)15/h3-7,10-12,16,18H,8-9H2,1-2H3
InChIKeyOWICUWUBYCAIMH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.86
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine (PubChem CID 103029868) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
PubChem CID103029868
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cccc2cccnc12
InChIInChI=1S/C17H20N4/c1-18-16(9-8-13-11-20-21(2)12-13)15-7-3-5-14-6-4-10-19-17(14)15/h3-7,10-12,16,18H,8-9H2,1-2H3
InChIKeyOWICUWUBYCAIMH-UHFFFAOYSA-N
XLogP2.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
(3-pyridin-4-yl-1-quinolin-8-ylpropyl)hydrazine
CID 105327456
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine (CID 103029868) is N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine is CNC(CCc1cnn(C)c1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine?
The InChIKey is OWICUWUBYCAIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-18-16(9-8-13-11-20-21(2)12-13)15-7-3-5-14-6-4-10-19-17(14)15/h3-7,10-12,16,18H,8-9H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine is sourced from PubChem (CID 103029868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).