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

C20H20Cl2N4OS — CID 146063957

IUPAC[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCSCC3)cnc2n1.Cl
InChIInChI=1S/C20H19ClN4OS.ClH/c1-13-2-7-16-18(24-15-5-3-14(21)4-6-15)17(12-22-19(16)23-13)20(26)25-8-10-27-11-9-25;/h2-7,12H,8-11H2,1H3,(H,22,23,24);1H
InChIKeyXPRISXHIFYJGJG-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.95
Rot. Bonds3

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

[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride (PubChem CID 146063957) has the molecular formula C20H20Cl2N4OS and a molecular weight of 435.38 g/mol. Its IUPAC name is [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
PubChem CID146063957
Molecular FormulaC20H20Cl2N4OS
Molecular Weight435.38 g/mol
Exact Mass434.07
IUPAC Name[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCSCC3)cnc2n1.Cl
InChIInChI=1S/C20H19ClN4OS.ClH/c1-13-2-7-16-18(24-15-5-3-14(21)4-6-15)17(12-22-19(16)23-13)20(26)25-8-10-27-11-9-25;/h2-7,12H,8-11H2,1H3,(H,22,23,24);1H
InChIKeyXPRISXHIFYJGJG-UHFFFAOYSA-N
XLogP4.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063995
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[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-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride (CID 146063957) is [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride is Cc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCSCC3)cnc2n1.Cl.
What is the InChIKey of [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The InChIKey is XPRISXHIFYJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS.ClH/c1-13-2-7-16-18(24-15-5-3-14(21)4-6-15)17(12-22-19(16)23-13)20(26)25-8-10-27-11-9-25;/h2-7,12H,8-11H2,1H3,(H,22,23,24);1H.
What are the key properties of [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride has a molecular weight of 435.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 146063957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).