4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

C82H61Cl10N9O16 — CID 167623646

IUPAC4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1
InChIInChI=1S/C20H18Cl2N2O4.C17H13Cl2NO3.3C15H10Cl2N2O3/c21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h1-6,27H,7-11H2,(H,23,26);2-7,23H,8H2,1H3,(H,20,22);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21)
InChIKeyMUBGLCSHZKSTTF-UHFFFAOYSA-N
MW1782.97 g/mol
LogP15.36
Rot. Bonds16

About 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (PubChem CID 167623646) has the molecular formula C82H61Cl10N9O16 and a molecular weight of 1782.97 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
PubChem CID167623646
Molecular FormulaC82H61Cl10N9O16
Molecular Weight1782.97 g/mol
Exact Mass1777.11
IUPAC Name4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1
InChIInChI=1S/C20H18Cl2N2O4.C17H13Cl2NO3.3C15H10Cl2N2O3/c21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h1-6,27H,7-11H2,(H,23,26);2-7,23H,8H2,1H3,(H,20,22);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21)
InChIKeyMUBGLCSHZKSTTF-UHFFFAOYSA-N
XLogP15.36
TPSA383.14 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.97
LogP ≤ 515.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 160853029
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
CID 58585937
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (CID 167623646) is 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The InChIKey is MUBGLCSHZKSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4.C17H13Cl2NO3.3C15H10Cl2N2O3/c21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h1-6,27H,7-11H2,(H,23,26);2-7,23H,8H2,1H3,(H,20,22);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21).
What are the key properties of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one has a molecular weight of 1782.97 g/mol, XLogP of 15.36, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 167623646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).