1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone

C23H24Cl2N4O2 — CID 136927299

IUPAC1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N(C)C1CCN(C)CC1
InChIInChI=1S/C23H24Cl2N4O2/c1-13(30)16-12-26-20-5-4-19(14-10-17(24)23(31)18(25)11-14)27-21(20)22(16)29(3)15-6-8-28(2)9-7-15/h4-5,10-12,15,31H,6-9H2,1-3H3
InChIKeyMLTQCZIUBOWILA-UHFFFAOYSA-N
MW459.38 g/mol
LogP5.04
Rot. Bonds4

About 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone

1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 136927299) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
PubChem CID136927299
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N(C)C1CCN(C)CC1
InChIInChI=1S/C23H24Cl2N4O2/c1-13(30)16-12-26-20-5-4-19(14-10-17(24)23(31)18(25)11-14)27-21(20)22(16)29(3)15-6-8-28(2)9-7-15/h4-5,10-12,15,31H,6-9H2,1-3H3
InChIKeyMLTQCZIUBOWILA-UHFFFAOYSA-N
XLogP5.04
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
CID 136927281
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,5-naphthyridin-3-yl]ethanone;methane
CID 157117379
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone
CID 141407143
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]ethanone;methane
CID 161262568
[1-[[4-[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 136927340
5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 114919110
1-[4-[[4-[[(dimethylamino)methyl-methylamino]methyl]cyclohexyl]amino]-6-(4-hydroxy-3,5-dimethylphenyl)-1,5-naphthyridin-3-yl]ethanone
CID 142770908
tert-butyl N-[(3R)-1-[5-[[6-(3,5-dichloro-4-hydroxyphenyl)-3-propanoyl-1,5-naphthyridin-4-yl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
CID 136981883
5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile
CID 66716620
2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol
CID 141407159
3-O-ethyl 6-O-methyl 4-[methyl-(1-methylpiperidin-4-yl)amino]quinoline-3,6-dicarboxylate
CID 23987403
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone (CID 136927299) is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N(C)C1CCN(C)CC1.
What is the InChIKey of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is MLTQCZIUBOWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-13(30)16-12-26-20-5-4-19(14-10-17(24)23(31)18(25)11-14)27-21(20)22(16)29(3)15-6-8-28(2)9-7-15/h4-5,10-12,15,31H,6-9H2,1-3H3.
What are the key properties of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone?
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 459.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 136927299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).