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

C21H22ClFN4O2 — CID 146063945

IUPAC[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C21H21FN4O2.ClH/c1-13-11-15(4-6-18(13)22)25-19-16-5-3-14(2)24-20(16)23-12-17(19)21(27)26-7-9-28-10-8-26;/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,25);1H
InChIKeyQEODBZPWKSGDCH-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.02
Rot. Bonds3

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

[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 146063945) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID146063945
Molecular FormulaC21H22ClFN4O2
Molecular Weight416.88 g/mol
Exact Mass416.14
IUPAC Name[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C21H21FN4O2.ClH/c1-13-11-15(4-6-18(13)22)25-19-16-5-3-14(2)24-20(16)23-12-17(19)21(27)26-7-9-28-10-8-26;/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,25);1H
InChIKeyQEODBZPWKSGDCH-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063995
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (CID 146063945) is [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is Cc1ccc2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCOCC3)cnc2n1.Cl.
What is the InChIKey of [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is QEODBZPWKSGDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2.ClH/c1-13-11-15(4-6-18(13)22)25-19-16-5-3-14(2)24-20(16)23-12-17(19)21(27)26-7-9-28-10-8-26;/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,25);1H.
What are the key properties of [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 416.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 146063945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).