N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine

C17H20N4 — CID 62294566

IUPACN-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
SMILESCc1cnn(-c2cc(CNC(C)C)c3ccccc3n2)c1
InChIInChI=1S/C17H20N4/c1-12(2)18-10-14-8-17(21-11-13(3)9-19-21)20-16-7-5-4-6-15(14)16/h4-9,11-12,18H,10H2,1-3H3
InChIKeyILEJMQBKTXEGJI-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.23
Rot. Bonds4

About N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine

N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine (PubChem CID 62294566) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
PubChem CID62294566
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
SMILESCc1cnn(-c2cc(CNC(C)C)c3ccccc3n2)c1
InChIInChI=1S/C17H20N4/c1-12(2)18-10-14-8-17(21-11-13(3)9-19-21)20-16-7-5-4-6-15(14)16/h4-9,11-12,18H,10H2,1-3H3
InChIKeyILEJMQBKTXEGJI-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine (CID 62294566) is N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine is Cc1cnn(-c2cc(CNC(C)C)c3ccccc3n2)c1.
What is the InChIKey of N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine?
The InChIKey is ILEJMQBKTXEGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)18-10-14-8-17(21-11-13(3)9-19-21)20-16-7-5-4-6-15(14)16/h4-9,11-12,18H,10H2,1-3H3.
What are the key properties of N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine?
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).