2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile

C87H79F2IN10O14S2 — CID 158770509

IUPAC2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.COc1cc(-c2cc(OCC3(CC#N)CC3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(I)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O
InChIInChI=1S/C24H19F2N3O4S.C24H21N3O4S.C24H24N2O4.C15H15IN2O2/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21;1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21;1-27-21-13-17(14-22(28-2)23(21)29-3)16-11-19-18(5-4-10-26-19)20(12-16)30-15-24(6-7-24)8-9-25;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-13H,14H2,1H3,(H2,27,30);3-13H,14H2,1-2H3,(H2,25,28);4-5,10-14H,6-8,15H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t;;;9-,10-/m...1/s1
InChIKeyIPUNSDBUEYCGRC-VPAPGVDPSA-N
MW1717.68 g/mol
LogP15.79
Rot. Bonds24

About 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile

2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 158770509) has the molecular formula C87H79F2IN10O14S2 and a molecular weight of 1717.68 g/mol. Its IUPAC name is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID158770509
Molecular FormulaC87H79F2IN10O14S2
Molecular Weight1717.68 g/mol
Exact Mass1716.42
IUPAC Name2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.COc1cc(-c2cc(OCC3(CC#N)CC3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(I)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O
InChIInChI=1S/C24H19F2N3O4S.C24H21N3O4S.C24H24N2O4.C15H15IN2O2/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21;1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21;1-27-21-13-17(14-22(28-2)23(21)29-3)16-11-19-18(5-4-10-26-19)20(12-16)30-15-24(6-7-24)8-9-25;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-13H,14H2,1H3,(H2,27,30);3-13H,14H2,1-2H3,(H2,25,28);4-5,10-14H,6-8,15H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t;;;9-,10-/m...1/s1
InChIKeyIPUNSDBUEYCGRC-VPAPGVDPSA-N
XLogP15.79
TPSA349.30 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.68
LogP ≤ 515.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile with MolForge

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Related Compounds

2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 158404714

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile (CID 158770509) is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile is CC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.COc1cc(-c2cc(OCC3(CC#N)CC3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(I)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O.
What is the InChIKey of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is IPUNSDBUEYCGRC-VPAPGVDPSA-N. The full InChI is InChI=1S/C24H19F2N3O4S.C24H21N3O4S.C24H24N2O4.C15H15IN2O2/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21;1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21;1-27-21-13-17(14-22(28-2)23(21)29-3)16-11-19-18(5-4-10-26-19)20(12-16)30-15-24(6-7-24)8-9-25;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-13H,14H2,1H3,(H2,27,30);3-13H,14H2,1-2H3,(H2,25,28);4-5,10-14H,6-8,15H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t;;;9-,10-/m...1/s1.
What are the key properties of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile?
2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 1717.68 g/mol, XLogP of 15.79, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 158770509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).