N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine

C17H20N4 — CID 105159264

IUPACN-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)c1ccnn1C
InChIInChI=1S/C17H20N4/c1-3-18-16(17-9-11-20-21(17)2)12-13-8-10-19-15-7-5-4-6-14(13)15/h4-11,16,18H,3,12H2,1-2H3
InChIKeyQCIZALVZPWWZFH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine

N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine (PubChem CID 105159264) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine
PubChem CID105159264
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)c1ccnn1C
InChIInChI=1S/C17H20N4/c1-3-18-16(17-9-11-20-21(17)2)12-13-8-10-19-15-7-5-4-6-14(13)15/h4-11,16,18H,3,12H2,1-2H3
InChIKeyQCIZALVZPWWZFH-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-ethyl-1-(5-methylfuran-2-yl)-2-quinolin-4-ylethanamine
CID 104997381
N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
CID 102923542
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
4-(2-ethylbutyl)quinoline
CID 143495355
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine?
The IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine (CID 105159264) is N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine is CCNC(Cc1ccnc2ccccc12)c1ccnn1C.
What is the InChIKey of N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine?
The InChIKey is QCIZALVZPWWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-18-16(17-9-11-20-21(17)2)12-13-8-10-19-15-7-5-4-6-14(13)15/h4-11,16,18H,3,12H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine?
N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine 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-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 105159264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).