6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)

C72H74FN9O9S3 — CID 157304519

IUPAC6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1
InChIInChI=1S/C24H24FN3O3S.2C24H25N3O3S/c1-26-11-9-16(10-12-26)21-15-28(23-6-4-18(25)14-20(21)23)32(30,31)19-5-7-22-17(13-19)3-8-24(29)27(22)2;2*1-25-13-11-17(12-14-25)21-16-27(23-6-4-3-5-20(21)23)31(29,30)19-8-9-22-18(15-19)7-10-24(28)26(22)2/h4-7,9,13-15H,3,8,10-12H2,1-2H3;2*3-6,8-9,11,15-16H,7,10,12-14H2,1-2H3
InChIKeyBCHKFDOPEZHZPS-UHFFFAOYSA-N
MW1324.64 g/mol
LogP10.66
Rot. Bonds9

About 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)

6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) (PubChem CID 157304519) has the molecular formula C72H74FN9O9S3 and a molecular weight of 1324.64 g/mol. Its IUPAC name is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one).

Molecular Properties

Compound Name6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
PubChem CID157304519
Molecular FormulaC72H74FN9O9S3
Molecular Weight1324.64 g/mol
Exact Mass1323.48
IUPAC Name6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1
InChIInChI=1S/C24H24FN3O3S.2C24H25N3O3S/c1-26-11-9-16(10-12-26)21-15-28(23-6-4-18(25)14-20(21)23)32(30,31)19-5-7-22-17(13-19)3-8-24(29)27(22)2;2*1-25-13-11-17(12-14-25)21-16-27(23-6-4-3-5-20(21)23)31(29,30)19-8-9-22-18(15-19)7-10-24(28)26(22)2/h4-7,9,13-15H,3,8,10-12H2,1-2H3;2*3-6,8-9,11,15-16H,7,10,12-14H2,1-2H3
InChIKeyBCHKFDOPEZHZPS-UHFFFAOYSA-N
XLogP10.66
TPSA187.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001324.64
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)?
The IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) (CID 157304519) is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one).
What is the SMILES notation for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)?
The canonical SMILES for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccccc23)CC1.
What is the InChIKey of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)?
The InChIKey is BCHKFDOPEZHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S.2C24H25N3O3S/c1-26-11-9-16(10-12-26)21-15-28(23-6-4-18(25)14-20(21)23)32(30,31)19-5-7-22-17(13-19)3-8-24(29)27(22)2;2*1-25-13-11-17(12-14-25)21-16-27(23-6-4-3-5-20(21)23)31(29,30)19-8-9-22-18(15-19)7-10-24(28)26(22)2/h4-7,9,13-15H,3,8,10-12H2,1-2H3;2*3-6,8-9,11,15-16H,7,10,12-14H2,1-2H3.
What are the key properties of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)?
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) has a molecular weight of 1324.64 g/mol, XLogP of 10.66, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one) is sourced from PubChem (CID 157304519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).