2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

C58H66F2N10O4 — CID 139519044

IUPAC2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)Oc1c(N2C[C@@H](CCC(C)Oc3c(N4CCN(C(C)C)CC4)cc4c(c3F)c(=O)c3c5ccc(C#N)cc5[nH]c3n4C(C)C)N(C)[C@@H](C)C2)cc2c(c1F)c(=O)c1c3ccc(C#N)cc3[nH]c1n2C(C)C
InChIInChI=1S/C58H66F2N10O4/c1-30(2)66-18-20-67(21-19-66)45-24-43-50(54(72)48-40-17-14-37(27-62)23-42(40)63-57(48)69(43)31(3)4)52(60)56(45)74-35(10)12-15-38-29-68(28-34(9)65(38)11)46-25-44-49(51(59)55(46)73-33(7)8)53(71)47-39-16-13-36(26-61)22-41(39)64-58(47)70(44)32(5)6/h13-14,16-17,22-25,30-35,38,63-64H,12,15,18-21,28-29H2,1-11H3/t34-,35?,38+/m0/s1
InChIKeyQIHBXRDTQWFMSG-SKKDVOKBSA-N
MW1005.23 g/mol
LogP10.84
Rot. Bonds12

About 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 139519044) has the molecular formula C58H66F2N10O4 and a molecular weight of 1005.23 g/mol. Its IUPAC name is 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID139519044
Molecular FormulaC58H66F2N10O4
Molecular Weight1005.23 g/mol
Exact Mass1004.52
IUPAC Name2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)Oc1c(N2C[C@@H](CCC(C)Oc3c(N4CCN(C(C)C)CC4)cc4c(c3F)c(=O)c3c5ccc(C#N)cc5[nH]c3n4C(C)C)N(C)[C@@H](C)C2)cc2c(c1F)c(=O)c1c3ccc(C#N)cc3[nH]c1n2C(C)C
InChIInChI=1S/C58H66F2N10O4/c1-30(2)66-18-20-67(21-19-66)45-24-43-50(54(72)48-40-17-14-37(27-62)23-42(40)63-57(48)69(43)31(3)4)52(60)56(45)74-35(10)12-15-38-29-68(28-34(9)65(38)11)46-25-44-49(51(59)55(46)73-33(7)8)53(71)47-39-16-13-36(26-61)22-41(39)64-58(47)70(44)32(5)6/h13-14,16-17,22-25,30-35,38,63-64H,12,15,18-21,28-29H2,1-11H3/t34-,35?,38+/m0/s1
InChIKeyQIHBXRDTQWFMSG-SKKDVOKBSA-N
XLogP10.84
TPSA154.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.23
LogP ≤ 510.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile 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 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 139519044) is 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)Oc1c(N2C[C@@H](CCC(C)Oc3c(N4CCN(C(C)C)CC4)cc4c(c3F)c(=O)c3c5ccc(C#N)cc5[nH]c3n4C(C)C)N(C)[C@@H](C)C2)cc2c(c1F)c(=O)c1c3ccc(C#N)cc3[nH]c1n2C(C)C.
What is the InChIKey of 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is QIHBXRDTQWFMSG-SKKDVOKBSA-N. The full InChI is InChI=1S/C58H66F2N10O4/c1-30(2)66-18-20-67(21-19-66)45-24-43-50(54(72)48-40-17-14-37(27-62)23-42(40)63-57(48)69(43)31(3)4)52(60)56(45)74-35(10)12-15-38-29-68(28-34(9)65(38)11)46-25-44-49(51(59)55(46)73-33(7)8)53(71)47-39-16-13-36(26-61)22-41(39)64-58(47)70(44)32(5)6/h13-14,16-17,22-25,30-35,38,63-64H,12,15,18-21,28-29H2,1-11H3/t34-,35?,38+/m0/s1.
What are the key properties of 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 1005.23 g/mol, XLogP of 10.84, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,6S)-4-(8-cyano-1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinolin-3-yl)-1,6-dimethylpiperazin-2-yl]butan-2-yloxy]-1-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 139519044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).