4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one

C21H22N2O2S — CID 163854979

IUPAC4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C21H22N2O2S/c1-3-26-15-6-7-20(25-13-14-4-5-14)17(10-15)19-12-23(2)21(24)18-11-22-9-8-16(18)19/h6-12,14H,3-5,13H2,1-2H3
InChIKeyOXNNEMHSQQRCES-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.50
Rot. Bonds6

About 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one

4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 163854979) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID163854979
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C21H22N2O2S/c1-3-26-15-6-7-20(25-13-14-4-5-14)17(10-15)19-12-23(2)21(24)18-11-22-9-8-16(18)19/h6-12,14H,3-5,13H2,1-2H3
InChIKeyOXNNEMHSQQRCES-UHFFFAOYSA-N
XLogP4.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015
8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione
CID 123704162
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
[4-(cyclopropylmethoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]sulfamic acid
CID 118021606
5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 134311541
4-[2-(cyclopropylmethylamino)-5-ethylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227160
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one
CID 123214643
8-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methyl-2-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
CID 123653842
4-[2-(2-aminoethoxy)-5-ethylsulfanylphenyl]-2-methyl-6-[(E)-1-(methylamino)prop-1-en-2-yl]isoquinolin-1-one
CID 134310741
6-[(Z)-3-amino-1-(methylamino)prop-1-en-2-yl]-4-(5-ethylsulfanyl-2-propoxyphenyl)-2-methylisoquinolin-1-one
CID 134310906
4-[3-(cyclopropylmethoxy)-6-ethylsulfonylpyridazin-4-yl]-2-methylisoquinolin-1-one
CID 118028159

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one (CID 163854979) is 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one is CCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3cnccc23)c1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is OXNNEMHSQQRCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-26-15-6-7-20(25-13-14-4-5-14)17(10-15)19-12-23(2)21(24)18-11-22-9-8-16(18)19/h6-12,14H,3-5,13H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 366.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 163854979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).