5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one

C16H15N3O — CID 164563764

IUPAC5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
SMILESCC(N)c1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C16H15N3O/c1-10(17)11-2-4-12(5-3-11)13-8-9-18-16-14(13)6-7-15(20)19-16/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyYJXWGOSQEDONPB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.61
Rot. Bonds2

About 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one

5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one (PubChem CID 164563764) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
PubChem CID164563764
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
SMILESCC(N)c1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C16H15N3O/c1-10(17)11-2-4-12(5-3-11)13-8-9-18-16-14(13)6-7-15(20)19-16/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyYJXWGOSQEDONPB-UHFFFAOYSA-N
XLogP2.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one (CID 164563764) is 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one is CC(N)c1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1.
What is the InChIKey of 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The InChIKey is YJXWGOSQEDONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10(17)11-2-4-12(5-3-11)13-8-9-18-16-14(13)6-7-15(20)19-16/h2-10H,17H2,1H3,(H,18,19,20).
What are the key properties of 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one?
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 164563764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).