N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine

C16H18N4 — CID 105104643

IUPACN-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H18N4/c1-3-17-16(12-10-19-20(2)11-12)14-8-9-18-15-7-5-4-6-13(14)15/h4-11,16-17H,3H2,1-2H3
InChIKeyONNHIQQSEHNWOU-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.67
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine

N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine (PubChem CID 105104643) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
PubChem CID105104643
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H18N4/c1-3-17-16(12-10-19-20(2)11-12)14-8-9-18-15-7-5-4-6-13(14)15/h4-11,16-17H,3H2,1-2H3
InChIKeyONNHIQQSEHNWOU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
2-(1-methylpyrazol-4-yl)-1-quinolin-4-ylethanamine
CID 105114119
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine (CID 105104643) is N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine is CCNC(c1cnn(C)c1)c1ccnc2ccccc12.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine?
The InChIKey is ONNHIQQSEHNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-17-16(12-10-19-20(2)11-12)14-8-9-18-15-7-5-4-6-13(14)15/h4-11,16-17H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine is sourced from PubChem (CID 105104643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).