1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine

C16H14ClN3 — CID 121259640

IUPAC1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine
SMILESCC(N)c1cc2nccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-10(18)12-9-14-16(13(17)7-8-19-14)20-15(12)11-5-3-2-4-6-11/h2-10H,18H2,1H3
InChIKeyJWYJYYHJPVGQAB-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.97
Rot. Bonds2

About 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine

1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine (PubChem CID 121259640) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine
PubChem CID121259640
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine
SMILESCC(N)c1cc2nccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-10(18)12-9-14-16(13(17)7-8-19-14)20-15(12)11-5-3-2-4-6-11/h2-10H,18H2,1H3
InChIKeyJWYJYYHJPVGQAB-UHFFFAOYSA-N
XLogP3.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine?
The IUPAC name of 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine (CID 121259640) is 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine.
What is the SMILES notation for 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine?
The canonical SMILES for 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine is CC(N)c1cc2nccc(Cl)c2nc1-c1ccccc1.
What is the InChIKey of 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine?
The InChIKey is JWYJYYHJPVGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10(18)12-9-14-16(13(17)7-8-19-14)20-15(12)11-5-3-2-4-6-11/h2-10H,18H2,1H3.
What are the key properties of 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine?
1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine has a molecular weight of 283.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine is sourced from PubChem (CID 121259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).