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

C20H20Cl2N4O2 — CID 146063918

IUPAC[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-13-5-6-16-18(24-15-4-2-3-14(21)11-15)17(12-22-19(16)23-13)20(26)25-7-9-27-10-8-25;/h2-6,11-12H,7-10H2,1H3,(H,22,23,24);1H
InChIKeyUGHSCQQBYDTJQY-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.23
Rot. Bonds3

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

[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 146063918) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID146063918
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-13-5-6-16-18(24-15-4-2-3-14(21)11-15)17(12-22-19(16)23-13)20(26)25-7-9-27-10-8-25;/h2-6,11-12H,7-10H2,1H3,(H,22,23,24);1H
InChIKeyUGHSCQQBYDTJQY-UHFFFAOYSA-N
XLogP4.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
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

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (CID 146063918) is [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is Cc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl.
What is the InChIKey of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is UGHSCQQBYDTJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.ClH/c1-13-5-6-16-18(24-15-4-2-3-14(21)11-15)17(12-22-19(16)23-13)20(26)25-7-9-27-10-8-25;/h2-6,11-12H,7-10H2,1H3,(H,22,23,24);1H.
What are the key properties of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 419.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 146063918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).