3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C165H157N29O10S4 — CID 158786266

IUPAC3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCCN(CC)CCc1cc2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2[nH]c1=O.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C29H29N5O2.C29H29N5OS.C28H28N6OS.C28H28N4O2.C26H22N4O2S.C25H21N5O2S/c2*1-19-5-8-26(36-19)27-24(20-6-7-25-21(16-20)4-3-10-30-25)18-23-17-22(29(35)32-28(23)31-27)9-11-34-14-12-33(2)13-15-34;1-18-30-17-25(36-18)26-23(19-5-6-24-20(14-19)4-3-8-29-24)16-22-15-21(28(35)32-27(22)31-26)7-9-34-12-10-33(2)11-13-34;1-4-32(5-2)14-12-21-16-22-17-23(19-9-10-24-20(15-19)7-6-13-29-24)26(25-11-8-18(3)34-25)30-27(22)31-28(21)33;1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30;1-15-27-14-22(33-15)23-19(16-4-5-20-17(11-16)3-2-6-26-20)12-18-13-21(25(31)29-24(18)28-23)30-7-9-32-10-8-30/h2*3-8,10,16-18H,9,11-15H2,1-2H3,(H,31,32,35);3-6,8,14-17H,7,9-13H2,1-2H3,(H,31,32,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,30,31,33);2-8,13-15H,9-12H2,1H3,(H,28,29,31);2-6,11-14H,7-10H2,1H3,(H,28,29,31)
InChIKeyIRSKYIJMKFGTLQ-UHFFFAOYSA-N
MW2834.53 g/mol
LogP28.83
Rot. Bonds28

About 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 158786266) has the molecular formula C165H157N29O10S4 and a molecular weight of 2834.53 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID158786266
Molecular FormulaC165H157N29O10S4
Molecular Weight2834.53 g/mol
Exact Mass2832.16
IUPAC Name3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCCN(CC)CCc1cc2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2[nH]c1=O.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C29H29N5O2.C29H29N5OS.C28H28N6OS.C28H28N4O2.C26H22N4O2S.C25H21N5O2S/c2*1-19-5-8-26(36-19)27-24(20-6-7-25-21(16-20)4-3-10-30-25)18-23-17-22(29(35)32-28(23)31-27)9-11-34-14-12-33(2)13-15-34;1-18-30-17-25(36-18)26-23(19-5-6-24-20(14-19)4-3-8-29-24)16-22-15-21(28(35)32-27(22)31-26)7-9-34-12-10-33(2)11-13-34;1-4-32(5-2)14-12-21-16-22-17-23(19-9-10-24-20(15-19)7-6-13-29-24)26(25-11-8-18(3)34-25)30-27(22)31-28(21)33;1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30;1-15-27-14-22(33-15)23-19(16-4-5-20-17(11-16)3-2-6-26-20)12-18-13-21(25(31)29-24(18)28-23)30-7-9-32-10-8-30/h2*3-8,10,16-18H,9,11-15H2,1-2H3,(H,31,32,35);3-6,8,14-17H,7,9-13H2,1-2H3,(H,31,32,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,30,31,33);2-8,13-15H,9-12H2,1H3,(H,28,29,31);2-6,11-14H,7-10H2,1H3,(H,28,29,31)
InChIKeyIRSKYIJMKFGTLQ-UHFFFAOYSA-N
XLogP28.83
TPSA451.52 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002834.53
LogP ≤ 528.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(azetidin-1-yl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethoxy)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;bis(N-[2-(4-fluoro-3-methylphenyl)quinolin-8-yl]pyridine-2-carboxamide);N-[2-(6-methyl-3-pyridinyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide
CID 158284343
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 159499663
(5Z)-5-[[2-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[3-(4-fluorophenyl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[2-(furan-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(3-pyridin-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[3-[2-(trifluoromethyl)phenyl]phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 160185929
2-Amino-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 160685595
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
8-(3-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)-5-[[7-[2-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]quinoline-2-carboxamide
CID 90764309
7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one
CID 137438088
Bis[3-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-2-morpholin-4-yl-4-pyridinyl]methanone
CID 140083907
ethane;8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide;8-(3-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 144049446
3-(5-methylfuran-2-yl)-2-quinolin-6-yl-7-(1,3-thiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657635

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 158786266) is 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is CCN(CC)CCc1cc2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2[nH]c1=O.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(CCN4CCN(C)CC4)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is IRSKYIJMKFGTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C29H29N5OS.C28H28N6OS.C28H28N4O2.C26H22N4O2S.C25H21N5O2S/c2*1-19-5-8-26(36-19)27-24(20-6-7-25-21(16-20)4-3-10-30-25)18-23-17-22(29(35)32-28(23)31-27)9-11-34-14-12-33(2)13-15-34;1-18-30-17-25(36-18)26-23(19-5-6-24-20(14-19)4-3-8-29-24)16-22-15-21(28(35)32-27(22)31-26)7-9-34-12-10-33(2)11-13-34;1-4-32(5-2)14-12-21-16-22-17-23(19-9-10-24-20(15-19)7-6-13-29-24)26(25-11-8-18(3)34-25)30-27(22)31-28(21)33;1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30;1-15-27-14-22(33-15)23-19(16-4-5-20-17(11-16)3-2-6-26-20)12-18-13-21(25(31)29-24(18)28-23)30-7-9-32-10-8-30/h2*3-8,10,16-18H,9,11-15H2,1-2H3,(H,31,32,35);3-6,8,14-17H,7,9-13H2,1-2H3,(H,31,32,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,30,31,33);2-8,13-15H,9-12H2,1H3,(H,28,29,31);2-6,11-14H,7-10H2,1H3,(H,28,29,31).
What are the key properties of 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 2834.53 g/mol, XLogP of 28.83, 28 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-[2-(4-methylpiperazin-1-yl)ethyl]-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(2-methyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 158786266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).