N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine

C16H15ClN4 — CID 62294024

IUPACN-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
SMILESClc1cnn(-c2cc(CNC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C16H15ClN4/c17-12-9-19-21(10-12)16-7-11(8-18-13-5-6-13)14-3-1-2-4-15(14)20-16/h1-4,7,9-10,13,18H,5-6,8H2
InChIKeyBWWBLFATFSOOJT-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.33
Rot. Bonds4

About N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine

N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine (PubChem CID 62294024) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
PubChem CID62294024
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC NameN-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
SMILESClc1cnn(-c2cc(CNC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C16H15ClN4/c17-12-9-19-21(10-12)16-7-11(8-18-13-5-6-13)14-3-1-2-4-15(14)20-16/h1-4,7,9-10,13,18H,5-6,8H2
InChIKeyBWWBLFATFSOOJT-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
N-[[4-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 106205442
N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 62290092
N-methyl-1-(2-pyrazol-1-ylquinolin-4-yl)methanamine
CID 62293254
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
CID 81452642

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine (CID 62294024) is N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine is Clc1cnn(-c2cc(CNC3CC3)c3ccccc3n2)c1.
What is the InChIKey of N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine?
The InChIKey is BWWBLFATFSOOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-12-9-19-21(10-12)16-7-11(8-18-13-5-6-13)14-3-1-2-4-15(14)20-16/h1-4,7,9-10,13,18H,5-6,8H2.
What are the key properties of N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine?
N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine has a molecular weight of 298.78 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62294024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).