5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

C12H13FN2O — CID 122543639

IUPAC5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)c(C(C)C)cc2c1F
InChIInChI=1S/C12H13FN2O/c1-6(2)8-4-9-10(13)7(3)5-14-11(9)15-12(8)16/h4-6H,1-3H3,(H,14,15,16)
InChIKeyLYQMOUFLBGEYDM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.49
Rot. Bonds1

About 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 122543639) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID122543639
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)c(C(C)C)cc2c1F
InChIInChI=1S/C12H13FN2O/c1-6(2)8-4-9-10(13)7(3)5-14-11(9)15-12(8)16/h4-6H,1-3H3,(H,14,15,16)
InChIKeyLYQMOUFLBGEYDM-UHFFFAOYSA-N
XLogP2.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543647
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
5-fluoro-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 162777670
5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one
CID 91057359
5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543656
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
CID 144823770
3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327584
5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
CID 118004986
4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 22273619
6-propan-2-yl-8H-pyrido[2,3-c]pyridazin-7-one
CID 162777650
5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 118004970

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 122543639) is 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is Cc1cnc2[nH]c(=O)c(C(C)C)cc2c1F.
What is the InChIKey of 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is LYQMOUFLBGEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-6(2)8-4-9-10(13)7(3)5-14-11(9)15-12(8)16/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 122543639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).