ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)

C171H168N34O23 — CID 158951721

IUPACethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)
SMILESCC.CC.CC.CC.CC.CC.CC1=Nc2nccc(Oc3cccc4ncccc34)c2CC1=O.CCOC(=O)C(C)=O.CCOC(=O)OC.CN.CN.CN.Cc1nc2c(Oc3cccc4ncccc34)ccnc2[nH]c1=O.Nc1nccc(Oc2cccc3ncccc23)c1N.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1
InChIInChI=1S/C18H13N3O2.C17H12N4O2.2C17H11N3O2.2C16H10N4O2.2C16H11N3O2.C14H12N4O.C5H8O3.C4H8O3.6C2H6.3CH5N/c1-11-15(22)10-13-17(7-9-20-18(13)21-11)23-16-6-2-5-14-12(16)4-3-8-19-14;1-10-17(22)21-16-15(20-10)14(7-9-19-16)23-13-6-2-5-12-11(13)4-3-8-18-12;2*21-11-9-13-16(6-8-19-17(13)20-10-11)22-15-5-1-4-14-12(15)3-2-7-18-14;2*21-14-9-19-15-13(6-8-18-16(15)20-14)22-12-5-1-4-11-10(12)3-2-7-17-11;2*20-15-9-11-14(6-8-18-16(11)19-15)21-13-5-1-4-12-10(13)3-2-7-17-12;15-13-12(6-8-18-14(13)16)19-11-5-1-4-10-9(11)3-2-7-17-10;1-3-8-5(7)4(2)6;1-3-7-4(5)6-2;9*1-2/h2-9H,10H2,1H3;2-9H,1H3,(H,19,21,22);2*1-8,10H,9H2;2*1-9H,(H,18,20,21);2*1-8H,9H2,(H,18,19,20);1-8H,15H2,(H2,16,18);3H2,1-2H3;3H2,1-2H3;6*1-2H3;3*2H2,1H3
InChIKeyJLMYFZKMVWLIKY-UHFFFAOYSA-N
MW3067.44 g/mol
LogP32.65
Rot. Bonds21

About ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)

ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) (PubChem CID 158951721) has the molecular formula C171H168N34O23 and a molecular weight of 3067.44 g/mol. Its IUPAC name is ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one).

Molecular Properties

Compound Nameethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)
PubChem CID158951721
Molecular FormulaC171H168N34O23
Molecular Weight3067.44 g/mol
Exact Mass3065.30
IUPAC Nameethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)
SMILESCC.CC.CC.CC.CC.CC.CC1=Nc2nccc(Oc3cccc4ncccc34)c2CC1=O.CCOC(=O)C(C)=O.CCOC(=O)OC.CN.CN.CN.Cc1nc2c(Oc3cccc4ncccc34)ccnc2[nH]c1=O.Nc1nccc(Oc2cccc3ncccc23)c1N.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1
InChIInChI=1S/C18H13N3O2.C17H12N4O2.2C17H11N3O2.2C16H10N4O2.2C16H11N3O2.C14H12N4O.C5H8O3.C4H8O3.6C2H6.3CH5N/c1-11-15(22)10-13-17(7-9-20-18(13)21-11)23-16-6-2-5-14-12(16)4-3-8-19-14;1-10-17(22)21-16-15(20-10)14(7-9-19-16)23-13-6-2-5-12-11(13)4-3-8-18-12;2*21-11-9-13-16(6-8-19-17(13)20-10-11)22-15-5-1-4-14-12(15)3-2-7-18-14;2*21-14-9-19-15-13(6-8-18-16(15)20-14)22-12-5-1-4-11-10(12)3-2-7-17-11;2*20-15-9-11-14(6-8-18-16(11)19-15)21-13-5-1-4-12-10(13)3-2-7-17-12;15-13-12(6-8-18-14(13)16)19-11-5-1-4-10-9(11)3-2-7-17-10;1-3-8-5(7)4(2)6;1-3-7-4(5)6-2;9*1-2/h2-9H,10H2,1H3;2-9H,1H3,(H,19,21,22);2*1-8,10H,9H2;2*1-9H,(H,18,20,21);2*1-8H,9H2,(H,18,19,20);1-8H,15H2,(H2,16,18);3H2,1-2H3;3H2,1-2H3;6*1-2H3;3*2H2,1H3
InChIKeyJLMYFZKMVWLIKY-UHFFFAOYSA-N
XLogP32.65
TPSA807.83 Ų
H-Bond Donors10
H-Bond Acceptors52
Rotatable Bonds21
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003067.44
LogP ≤ 532.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)?
The IUPAC name of ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) (CID 158951721) is ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one).
What is the SMILES notation for ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)?
The canonical SMILES for ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) is CC.CC.CC.CC.CC.CC.CC1=Nc2nccc(Oc3cccc4ncccc34)c2CC1=O.CCOC(=O)C(C)=O.CCOC(=O)OC.CN.CN.CN.Cc1nc2c(Oc3cccc4ncccc34)ccnc2[nH]c1=O.Nc1nccc(Oc2cccc3ncccc23)c1N.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1C=Nc2nccc(Oc3cccc4ncccc34)c2C1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2N1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1.O=c1cnc2c(Oc3cccc4ncccc34)ccnc2[nH]1.
What is the InChIKey of ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)?
The InChIKey is JLMYFZKMVWLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2.C17H12N4O2.2C17H11N3O2.2C16H10N4O2.2C16H11N3O2.C14H12N4O.C5H8O3.C4H8O3.6C2H6.3CH5N/c1-11-15(22)10-13-17(7-9-20-18(13)21-11)23-16-6-2-5-14-12(16)4-3-8-19-14;1-10-17(22)21-16-15(20-10)14(7-9-19-16)23-13-6-2-5-12-11(13)4-3-8-18-12;2*21-11-9-13-16(6-8-19-17(13)20-10-11)22-15-5-1-4-14-12(15)3-2-7-18-14;2*21-14-9-19-15-13(6-8-18-16(15)20-14)22-12-5-1-4-11-10(12)3-2-7-17-11;2*20-15-9-11-14(6-8-18-16(11)19-15)21-13-5-1-4-12-10(13)3-2-7-17-12;15-13-12(6-8-18-14(13)16)19-11-5-1-4-10-9(11)3-2-7-17-10;1-3-8-5(7)4(2)6;1-3-7-4(5)6-2;9*1-2/h2-9H,10H2,1H3;2-9H,1H3,(H,19,21,22);2*1-8,10H,9H2;2*1-9H,(H,18,20,21);2*1-8H,9H2,(H,18,19,20);1-8H,15H2,(H2,16,18);3H2,1-2H3;3H2,1-2H3;6*1-2H3;3*2H2,1H3.
What are the key properties of ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)?
ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) has a molecular weight of 3067.44 g/mol, XLogP of 32.65, 21 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one) is sourced from PubChem (CID 158951721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).