1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one

C13H17N3O — CID 90654322

IUPAC1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one
SMILESCc1ccc2ccc(=O)n(CCN(C)C)c2n1
InChIInChI=1S/C13H17N3O/c1-10-4-5-11-6-7-12(17)16(13(11)14-10)9-8-15(2)3/h4-7H,8-9H2,1-3H3
InChIKeyWCAVWSDBDOIDTJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one

1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one (PubChem CID 90654322) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one
PubChem CID90654322
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one
SMILESCc1ccc2ccc(=O)n(CCN(C)C)c2n1
InChIInChI=1S/C13H17N3O/c1-10-4-5-11-6-7-12(17)16(13(11)14-10)9-8-15(2)3/h4-7H,8-9H2,1-3H3
InChIKeyWCAVWSDBDOIDTJ-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.27
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]-7-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one (CID 90654322) is 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one is Cc1ccc2ccc(=O)n(CCN(C)C)c2n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one?
The InChIKey is WCAVWSDBDOIDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-5-11-6-7-12(17)16(13(11)14-10)9-8-15(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one?
1-[2-(dimethylamino)ethyl]-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.27, 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]-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 90654322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).