3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide

C180H129Cl6N23O17S6 — CID 161421431

IUPAC3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(CS(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=C(Cc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O)CS(=O)(=O)c1ccccc1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CS(=O)(=O)c1ccccc1.O=c1ccc2c(CS(=O)(=O)C3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C32H22ClN3O4S.C31H23ClN4O2S.C30H22ClN5O3S.C30H22ClN5O2S.C30H20ClN3O3S.C27H20ClN3O3S/c33-28-18-22(14-21-10-7-13-34-30(21)28)27-17-23-15-24(16-25(37)19-41(39,40)26-11-5-2-6-12-26)32(38)36-31(23)35-29(27)20-8-3-1-4-9-20;1-19-9-10-20(16-34-19)17-39(38)18-25-13-24-14-26(23-12-22-8-5-11-33-29(22)27(32)15-23)28(21-6-3-2-4-7-21)35-30(24)36-31(25)37;1-18-9-10-24(17-33-18)40(38,39)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;31-26-17-21(14-20-10-7-13-32-28(20)26)25-16-22-15-23(18-38(36,37)24-11-5-2-6-12-24)30(35)34-29(22)33-27(25)19-8-3-1-4-9-19;28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-35(33,34)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-15,17-18H,16,19H2,(H,35,36,38);2-16H,17-18H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);1-17H,18H2,(H,33,34,35);1-7,10-14,19H,8-9,15H2,(H,30,31,32)
InChIKeyVWUDUZUCENATLU-UHFFFAOYSA-N
MW3291.28 g/mol
LogP36.24
Rot. Bonds35

About 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide

3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (PubChem CID 161421431) has the molecular formula C180H129Cl6N23O17S6 and a molecular weight of 3291.28 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
PubChem CID161421431
Molecular FormulaC180H129Cl6N23O17S6
Molecular Weight3291.28 g/mol
Exact Mass3285.64
IUPAC Name3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(CS(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=C(Cc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O)CS(=O)(=O)c1ccccc1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CS(=O)(=O)c1ccccc1.O=c1ccc2c(CS(=O)(=O)C3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C32H22ClN3O4S.C31H23ClN4O2S.C30H22ClN5O3S.C30H22ClN5O2S.C30H20ClN3O3S.C27H20ClN3O3S/c33-28-18-22(14-21-10-7-13-34-30(21)28)27-17-23-15-24(16-25(37)19-41(39,40)26-11-5-2-6-12-26)32(38)36-31(23)35-29(27)20-8-3-1-4-9-20;1-19-9-10-20(16-34-19)17-39(38)18-25-13-24-14-26(23-12-22-8-5-11-33-29(22)27(32)15-23)28(21-6-3-2-4-7-21)35-30(24)36-31(25)37;1-18-9-10-24(17-33-18)40(38,39)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;31-26-17-21(14-20-10-7-13-32-28(20)26)25-16-22-15-23(18-38(36,37)24-11-5-2-6-12-24)30(35)34-29(22)33-27(25)19-8-3-1-4-9-19;28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-35(33,34)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-15,17-18H,16,19H2,(H,35,36,38);2-16H,17-18H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);1-17H,18H2,(H,33,34,35);1-7,10-14,19H,8-9,15H2,(H,30,31,32)
InChIKeyVWUDUZUCENATLU-UHFFFAOYSA-N
XLogP36.24
TPSA602.34 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003291.28
LogP ≤ 536.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-(8-chloroquinolin-6-yl)-5-(cyclopentylmethylsulfinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethylsulfinyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-(oxetan-3-ylmethylsulfonyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[3-(8-chloroquinolin-6-yl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide
CID 159419637
6-(8-chloroquinolin-6-yl)-3-(cyclopropylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
CID 161872190
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide
CID 137438496
N-(benzenesulfonyl)-2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetamide
CID 137438654
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050
7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one
CID 155170927
1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide
CID 155170932
6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 155170934
N-[3-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(oxetan-3-ylmethylsulfonyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-ethylsulfonyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide
CID 155170968
6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 155170973
7-[3-[6-[6-(benzenesulfinylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(cyclohexylsulfinylmethyl)-1H-1,8-naphthyridin-4-one
CID 155170980
6-[8-chloro-3-[3-[3-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-7-methylsulfanyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-6-propan-2-ylsulfanyl-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-cyclopropylsulfanyl-7-phenyl-1H-1,8-naphthyridin-4-one
CID 155171010

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (CID 161421431) is 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide is Cc1ccc(CS(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=C(Cc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O)CS(=O)(=O)c1ccccc1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CS(=O)(=O)c1ccccc1.O=c1ccc2c(CS(=O)(=O)C3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The InChIKey is VWUDUZUCENATLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClN3O4S.C31H23ClN4O2S.C30H22ClN5O3S.C30H22ClN5O2S.C30H20ClN3O3S.C27H20ClN3O3S/c33-28-18-22(14-21-10-7-13-34-30(21)28)27-17-23-15-24(16-25(37)19-41(39,40)26-11-5-2-6-12-26)32(38)36-31(23)35-29(27)20-8-3-1-4-9-20;1-19-9-10-20(16-34-19)17-39(38)18-25-13-24-14-26(23-12-22-8-5-11-33-29(22)27(32)15-23)28(21-6-3-2-4-7-21)35-30(24)36-31(25)37;1-18-9-10-24(17-33-18)40(38,39)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37;31-26-17-21(14-20-10-7-13-32-28(20)26)25-16-22-15-23(18-38(36,37)24-11-5-2-6-12-24)30(35)34-29(22)33-27(25)19-8-3-1-4-9-19;28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-35(33,34)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-15,17-18H,16,19H2,(H,35,36,38);2-16H,17-18H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);2-15,17,34H,16H2,1H3,(H,35,36,37);1-17H,18H2,(H,33,34,35);1-7,10-14,19H,8-9,15H2,(H,30,31,32).
What are the key properties of 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 3291.28 g/mol, XLogP of 36.24, 35 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 161421431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).