1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C14H13ClN4 — CID 112617720

IUPAC1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cn[nH]c2)c2ncccc12
InChIInChI=1S/C14H13ClN4/c15-13-4-3-11(14-12(13)2-1-5-17-14)9-16-6-10-7-18-19-8-10/h1-5,7-8,16H,6,9H2,(H,18,19)
InChIKeyBFQXGEURHKAXFJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.90
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 112617720) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID112617720
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cn[nH]c2)c2ncccc12
InChIInChI=1S/C14H13ClN4/c15-13-4-3-11(14-12(13)2-1-5-17-14)9-16-6-10-7-18-19-8-10/h1-5,7-8,16H,6,9H2,(H,18,19)
InChIKeyBFQXGEURHKAXFJ-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000262
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115697393
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
CID 167757522

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 112617720) is 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is Clc1ccc(CNCc2cn[nH]c2)c2ncccc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is BFQXGEURHKAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-13-4-3-11(14-12(13)2-1-5-17-14)9-16-6-10-7-18-19-8-10/h1-5,7-8,16H,6,9H2,(H,18,19).
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 272.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 112617720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).