1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one

C12H15N3O — CID 12674178

IUPAC1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one
SMILESCN(C)CCn1c(=O)ccc2cccnc21
InChIInChI=1S/C12H15N3O/c1-14(2)8-9-15-11(16)6-5-10-4-3-7-13-12(10)15/h3-7H,8-9H2,1-2H3
InChIKeyKFKYRBTWIWZSSX-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.96
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one

1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one (PubChem CID 12674178) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one
PubChem CID12674178
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one
SMILESCN(C)CCn1c(=O)ccc2cccnc21
InChIInChI=1S/C12H15N3O/c1-14(2)8-9-15-11(16)6-5-10-4-3-7-13-12(10)15/h3-7H,8-9H2,1-2H3
InChIKeyKFKYRBTWIWZSSX-UHFFFAOYSA-N
XLogP0.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one (CID 12674178) is 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one is CN(C)CCn1c(=O)ccc2cccnc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one?
The InChIKey is KFKYRBTWIWZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14(2)8-9-15-11(16)6-5-10-4-3-7-13-12(10)15/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one?
1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 12674178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).