1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone

C26H30Cl2N4O2 — CID 66716388

IUPAC1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCN(CCN(C)C)CC1
InChIInChI=1S/C26H30Cl2N4O2/c1-16(33)21-15-29-24-5-4-17(18-13-22(27)26(34)23(28)14-18)12-20(24)25(21)30-19-6-8-32(9-7-19)11-10-31(2)3/h4-5,12-15,19,34H,6-11H2,1-3H3,(H,29,30)
InChIKeyADHBMAWHFNATSK-UHFFFAOYSA-N
MW501.46 g/mol
LogP5.55
Rot. Bonds7

About 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone

1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone (PubChem CID 66716388) has the molecular formula C26H30Cl2N4O2 and a molecular weight of 501.46 g/mol. Its IUPAC name is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone
PubChem CID66716388
Molecular FormulaC26H30Cl2N4O2
Molecular Weight501.46 g/mol
Exact Mass500.17
IUPAC Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCN(CCN(C)C)CC1
InChIInChI=1S/C26H30Cl2N4O2/c1-16(33)21-15-29-24-5-4-17(18-13-22(27)26(34)23(28)14-18)12-20(24)25(21)30-19-6-8-32(9-7-19)11-10-31(2)3/h4-5,12-15,19,34H,6-11H2,1-3H3,(H,29,30)
InChIKeyADHBMAWHFNATSK-UHFFFAOYSA-N
XLogP5.55
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.46
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone?
The IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone (CID 66716388) is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone?
The InChIKey is ADHBMAWHFNATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O2/c1-16(33)21-15-29-24-5-4-17(18-13-22(27)26(34)23(28)14-18)12-20(24)25(21)30-19-6-8-32(9-7-19)11-10-31(2)3/h4-5,12-15,19,34H,6-11H2,1-3H3,(H,29,30).
What are the key properties of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone?
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone has a molecular weight of 501.46 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 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-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]quinolin-3-yl]ethanone is sourced from PubChem (CID 66716388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).