6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

C12H16N2O2 — CID 123965419

IUPAC6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCc1c(CO)nc2c(c1C)CCC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-3-8-7(2)9-4-5-11(16)14-12(9)13-10(8)6-15/h15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVQJMINLYNZUVME-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds2

About 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 123965419) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID123965419
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCc1c(CO)nc2c(c1C)CCC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-3-8-7(2)9-4-5-11(16)14-12(9)13-10(8)6-15/h15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVQJMINLYNZUVME-UHFFFAOYSA-N
XLogP1.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 145497399
2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 139502494
4-propyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 59421424
2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 14916841
4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 86628369
5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163523317
(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate
CID 142739966
6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 167066836
(5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol
CID 125454578
ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 123908456
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one
CID 122697215

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 123965419) is 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCc1c(CO)nc2c(c1C)CCC(=O)N2.
What is the InChIKey of 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is VQJMINLYNZUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-8-7(2)9-4-5-11(16)14-12(9)13-10(8)6-15/h15H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 123965419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).