N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine

C16H18N4 — CID 63963933

IUPACN-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)c1ccnn1C
InChIInChI=1S/C16H18N4/c1-3-17-16(15-8-10-19-20(15)2)13-6-7-14-12(11-13)5-4-9-18-14/h4-11,16-17H,3H2,1-2H3
InChIKeyRLAPCMLCCBKEBJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.67
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine

N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine (PubChem CID 63963933) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
PubChem CID63963933
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)c1ccnn1C
InChIInChI=1S/C16H18N4/c1-3-17-16(15-8-10-19-20(15)2)13-6-7-14-12(11-13)5-4-9-18-14/h4-11,16-17H,3H2,1-2H3
InChIKeyRLAPCMLCCBKEBJ-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-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
[(2-methylpyrazol-3-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213309

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine (CID 63963933) is N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine is CCNC(c1ccc2ncccc2c1)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine?
The InChIKey is RLAPCMLCCBKEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-17-16(15-8-10-19-20(15)2)13-6-7-14-12(11-13)5-4-9-18-14/h4-11,16-17H,3H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine?
N-[(2-methylpyrazol-3-yl)-quinolin-6-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-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine is sourced from PubChem (CID 63963933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).