2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone

C116H129Cl2N19O11Si — CID 157242305

IUPAC2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESC.C.C.CC(=O)N1CCN(c2ccc3cc(C)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(O)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cc4)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc3n2)CC1.Cc1ccc2nc(Cl)ccc2c1.O=c1ccc2cc(O)ccc2[nH]1.Oc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C30H37N5O3Si.C24H23N5O2.C16H19N3O.C15H17N3O2.C10H8ClN.C9H6ClNO.C9H7NO2.3CH4/c1-23(36)33-15-17-34(18-16-33)30-12-7-25-21-27(10-11-28(25)32-30)38-26-8-5-24(6-9-26)29-13-14-31-35(29)22-37-19-20-39(2,3)4;1-17(30)28-10-12-29(13-11-28)23-6-2-18-14-21(4-5-22(18)27-23)31-24-7-3-19(16-26-24)20-8-9-25-15-20;1-12-3-5-15-14(11-12)4-6-16(17-15)19-9-7-18(8-10-19)13(2)20;1-11(19)17-6-8-18(9-7-17)15-5-2-12-10-13(20)3-4-14(12)16-15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;10-9-4-1-6-5-7(12)2-3-8(6)11-9;11-7-2-3-8-6(5-7)1-4-9(12)10-8;;;/h5-14,21H,15-20,22H2,1-4H3;2-9,14,16H,10-13,15H2,1H3;3-6,11H,7-10H2,1-2H3;2-5,10,20H,6-9H2,1H3;2-6H,1H3;1-5,12H;1-5,11H,(H,10,12);3*1H4
InChIKeyAVIUXGXGIJMOOC-UHFFFAOYSA-N
MW2064.42 g/mol
LogP22.18
Rot. Bonds15

About 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone

2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 157242305) has the molecular formula C116H129Cl2N19O11Si and a molecular weight of 2064.42 g/mol. Its IUPAC name is 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone
PubChem CID157242305
Molecular FormulaC116H129Cl2N19O11Si
Molecular Weight2064.42 g/mol
Exact Mass2061.93
IUPAC Name2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESC.C.C.CC(=O)N1CCN(c2ccc3cc(C)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(O)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cc4)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc3n2)CC1.Cc1ccc2nc(Cl)ccc2c1.O=c1ccc2cc(O)ccc2[nH]1.Oc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C30H37N5O3Si.C24H23N5O2.C16H19N3O.C15H17N3O2.C10H8ClN.C9H6ClNO.C9H7NO2.3CH4/c1-23(36)33-15-17-34(18-16-33)30-12-7-25-21-27(10-11-28(25)32-30)38-26-8-5-24(6-9-26)29-13-14-31-35(29)22-37-19-20-39(2,3)4;1-17(30)28-10-12-29(13-11-28)23-6-2-18-14-21(4-5-22(18)27-23)31-24-7-3-19(16-26-24)20-8-9-25-15-20;1-12-3-5-15-14(11-12)4-6-16(17-15)19-9-7-18(8-10-19)13(2)20;1-11(19)17-6-8-18(9-7-17)15-5-2-12-10-13(20)3-4-14(12)16-15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;10-9-4-1-6-5-7(12)2-3-8(6)11-9;11-7-2-3-8-6(5-7)1-4-9(12)10-8;;;/h5-14,21H,15-20,22H2,1-4H3;2-9,14,16H,10-13,15H2,1H3;3-6,11H,7-10H2,1-2H3;2-5,10,20H,6-9H2,1H3;2-6H,1H3;1-5,12H;1-5,11H,(H,10,12);3*1H4
InChIKeyAVIUXGXGIJMOOC-UHFFFAOYSA-N
XLogP22.18
TPSA335.85 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.42
LogP ≤ 522.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone (CID 157242305) is 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone is C.C.C.CC(=O)N1CCN(c2ccc3cc(C)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(O)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cc4)ccc3n2)CC1.CC(=O)N1CCN(c2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc3n2)CC1.Cc1ccc2nc(Cl)ccc2c1.O=c1ccc2cc(O)ccc2[nH]1.Oc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is AVIUXGXGIJMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3Si.C24H23N5O2.C16H19N3O.C15H17N3O2.C10H8ClN.C9H6ClNO.C9H7NO2.3CH4/c1-23(36)33-15-17-34(18-16-33)30-12-7-25-21-27(10-11-28(25)32-30)38-26-8-5-24(6-9-26)29-13-14-31-35(29)22-37-19-20-39(2,3)4;1-17(30)28-10-12-29(13-11-28)23-6-2-18-14-21(4-5-22(18)27-23)31-24-7-3-19(16-26-24)20-8-9-25-15-20;1-12-3-5-15-14(11-12)4-6-16(17-15)19-9-7-18(8-10-19)13(2)20;1-11(19)17-6-8-18(9-7-17)15-5-2-12-10-13(20)3-4-14(12)16-15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;10-9-4-1-6-5-7(12)2-3-8(6)11-9;11-7-2-3-8-6(5-7)1-4-9(12)10-8;;;/h5-14,21H,15-20,22H2,1-4H3;2-9,14,16H,10-13,15H2,1H3;3-6,11H,7-10H2,1-2H3;2-5,10,20H,6-9H2,1H3;2-6H,1H3;1-5,12H;1-5,11H,(H,10,12);3*1H4.
What are the key properties of 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone?
2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 2064.42 g/mol, XLogP of 22.18, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylquinoline;2-chloroquinolin-6-ol;6-hydroxy-1H-quinolin-2-one;1-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]ethanone;methane;1-[4-(6-methylquinolin-2-yl)piperazin-1-yl]ethanone;1-[4-[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]piperazin-1-yl]ethanone;1-[4-[6-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]quinolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157242305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).