ethane;7-methoxy-1H-1,8-naphthyridin-4-one

C11H14N2O2 — CID 155694720

IUPACethane;7-methoxy-1H-1,8-naphthyridin-4-one
SMILESCC.COc1ccc2c(=O)cc[nH]c2n1
InChIInChI=1S/C9H8N2O2.C2H6/c1-13-8-3-2-6-7(12)4-5-10-9(6)11-8;1-2/h2-5H,1H3,(H,10,11,12);1-2H3
InChIKeyBKLPXYZGHFQOFS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.96
Rot. Bonds1

About ethane;7-methoxy-1H-1,8-naphthyridin-4-one

ethane;7-methoxy-1H-1,8-naphthyridin-4-one (PubChem CID 155694720) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethane;7-methoxy-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Nameethane;7-methoxy-1H-1,8-naphthyridin-4-one
PubChem CID155694720
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethane;7-methoxy-1H-1,8-naphthyridin-4-one
SMILESCC.COc1ccc2c(=O)cc[nH]c2n1
InChIInChI=1S/C9H8N2O2.C2H6/c1-13-8-3-2-6-7(12)4-5-10-9(6)11-8;1-2/h2-5H,1H3,(H,10,11,12);1-2H3
InChIKeyBKLPXYZGHFQOFS-UHFFFAOYSA-N
XLogP1.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dichlorocopper;7-methyl-1H-1,8-naphthyridin-4-one
CID 70610790
3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 123135175
6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 53412519
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 170382364
3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one
CID 57080596
2-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 130251266
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 74891260
2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 84663300
6-bromo-7-methyl-1H-1,8-naphthyridin-4-one
CID 19374329
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167506140

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-1H-1,8-naphthyridin-4-one?
The IUPAC name of ethane;7-methoxy-1H-1,8-naphthyridin-4-one (CID 155694720) is ethane;7-methoxy-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for ethane;7-methoxy-1H-1,8-naphthyridin-4-one?
The canonical SMILES for ethane;7-methoxy-1H-1,8-naphthyridin-4-one is CC.COc1ccc2c(=O)cc[nH]c2n1.
What is the InChIKey of ethane;7-methoxy-1H-1,8-naphthyridin-4-one?
The InChIKey is BKLPXYZGHFQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C2H6/c1-13-8-3-2-6-7(12)4-5-10-9(6)11-8;1-2/h2-5H,1H3,(H,10,11,12);1-2H3.
What are the key properties of ethane;7-methoxy-1H-1,8-naphthyridin-4-one?
ethane;7-methoxy-1H-1,8-naphthyridin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155694720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).