1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one

C12H15N3O — CID 23335372

IUPAC1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN)c2n1
InChIInChI=1S/C12H15N3O/c1-8-7-9(2)14-12-10(8)3-4-11(16)15(12)6-5-13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMTQSYXPWZZWFQF-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.97
Rot. Bonds2

About 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one

1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one (PubChem CID 23335372) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one
PubChem CID23335372
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN)c2n1
InChIInChI=1S/C12H15N3O/c1-8-7-9(2)14-12-10(8)3-4-11(16)15(12)6-5-13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMTQSYXPWZZWFQF-UHFFFAOYSA-N
XLogP0.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one (CID 23335372) is 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(CCN)c2n1.
What is the InChIKey of 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is MTQSYXPWZZWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-9(2)14-12-10(8)3-4-11(16)15(12)6-5-13/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one?
1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 23335372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).