1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone

C12H12N2O2 — CID 136628479

IUPAC1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone
SMILESCC(=O)c1c(O)c(C)nc2ccc(C)nc12
InChIInChI=1S/C12H12N2O2/c1-6-4-5-9-11(13-6)10(8(3)15)12(16)7(2)14-9/h4-5,16H,1-3H3
InChIKeyRKFIIGTVZWLOBO-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.15
Rot. Bonds1

About 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone

1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone (PubChem CID 136628479) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone
PubChem CID136628479
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone
SMILESCC(=O)c1c(O)c(C)nc2ccc(C)nc12
InChIInChI=1S/C12H12N2O2/c1-6-4-5-9-11(13-6)10(8(3)15)12(16)7(2)14-9/h4-5,16H,1-3H3
InChIKeyRKFIIGTVZWLOBO-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethylpyrido[3,2-d]pyrimidine;ethane
CID 166106712
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
1-(2,5-dimethylquinolin-6-yl)ethanone
CID 175626409
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]ethanone
CID 90678912
2,8-dimethyl-7-[(1Z)-3-methylbuta-1,3-dienyl]quinoline;ethane
CID 144612420
1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
CID 175328569
bis(2,6-dimethylpyridine);palladium(2+);diacetate
CID 139114268
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
(4-acetyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
CID 24977562
N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide
CID 22597662
carbon dioxide;2,6-dimethyl-1,5-naphthyridin-4-amine
CID 123584210
4-hydroxy-3,6-dimethyl-1H-1,5-naphthyridin-2-one
CID 89049721

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone (CID 136628479) is 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone is CC(=O)c1c(O)c(C)nc2ccc(C)nc12.
What is the InChIKey of 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone?
The InChIKey is RKFIIGTVZWLOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-6-4-5-9-11(13-6)10(8(3)15)12(16)7(2)14-9/h4-5,16H,1-3H3.
What are the key properties of 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone?
1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone is sourced from PubChem (CID 136628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).