[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride

C20H19ClF2N4OS — CID 146063995

IUPAC[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCSCC3)cnc2n1.Cl
InChIInChI=1S/C20H18F2N4OS.ClH/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26;/h2-3,8-11H,4-7H2,1H3,(H,23,24,25);1H
InChIKeyVPQIIBKIRNEPSS-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.57
Rot. Bonds3

About [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride

[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride (PubChem CID 146063995) has the molecular formula C20H19ClF2N4OS and a molecular weight of 436.92 g/mol. Its IUPAC name is [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
PubChem CID146063995
Molecular FormulaC20H19ClF2N4OS
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCSCC3)cnc2n1.Cl
InChIInChI=1S/C20H18F2N4OS.ClH/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26;/h2-3,8-11H,4-7H2,1H3,(H,23,24,25);1H
InChIKeyVPQIIBKIRNEPSS-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride (CID 146063995) is [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride is Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCSCC3)cnc2n1.Cl.
What is the InChIKey of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The InChIKey is VPQIIBKIRNEPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4OS.ClH/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26;/h2-3,8-11H,4-7H2,1H3,(H,23,24,25);1H.
What are the key properties of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride has a molecular weight of 436.92 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 146063995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).