1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine

C16H14ClN3 — CID 115697268

IUPAC1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(CNCc2ccccn2)c2ncccc12
InChIInChI=1S/C16H14ClN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2
InChIKeyBFBBDTXIEKKJSV-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.57
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 115697268) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID115697268
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(CNCc2ccccn2)c2ncccc12
InChIInChI=1S/C16H14ClN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2
InChIKeyBFBBDTXIEKKJSV-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
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
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 115697268) is 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine is Clc1ccc(CNCc2ccccn2)c2ncccc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is BFBBDTXIEKKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 283.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 115697268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).