(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione

C149H138N16O22S3 — CID 157224970

IUPAC(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione
SMILESC#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3cccnc32)cc1C.C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3cccnc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C
InChIInChI=1S/2C20H14N2O5.C19H20N2O.C18H16N2O3.C18H16N2O2S.2C18H20N2O2S.C18H18N2O2/c1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-15-5-4-10-21-18(15)19(24)27-20(22)25;1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-18-15(5-4-10-21-18)19(24)27-20(22)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-5-17-18(20)6-3-10-19-17;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-6-17-5-3-10-19-18(17)20;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20/h2*1,4-10,12H,11H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3/b2*9-7+;10-9+;;;2*12-9+;6-5+
InChIKeyATKXRESZWNWGLX-MYFLYWLZSA-N
MW2601.03 g/mol
LogP25.25
Rot. Bonds22

About (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione

(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione (PubChem CID 157224970) has the molecular formula C149H138N16O22S3 and a molecular weight of 2601.03 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione
PubChem CID157224970
Molecular FormulaC149H138N16O22S3
Molecular Weight2601.03 g/mol
Exact Mass2598.93
IUPAC Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione
SMILESC#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3cccnc32)cc1C.C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3cccnc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C
InChIInChI=1S/2C20H14N2O5.C19H20N2O.C18H16N2O3.C18H16N2O2S.2C18H20N2O2S.C18H18N2O2/c1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-15-5-4-10-21-18(15)19(24)27-20(22)25;1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-18-15(5-4-10-21-18)19(24)27-20(22)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-5-17-18(20)6-3-10-19-17;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-6-17-5-3-10-19-18(17)20;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20/h2*1,4-10,12H,11H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3/b2*9-7+;10-9+;;;2*12-9+;6-5+
InChIKeyATKXRESZWNWGLX-MYFLYWLZSA-N
XLogP25.25
TPSA472.10 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002601.03
LogP ≤ 525.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?
The IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione (CID 157224970) is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione is C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3cccnc32)cc1C.C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3cccnc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?
The InChIKey is ATKXRESZWNWGLX-MYFLYWLZSA-N. The full InChI is InChI=1S/2C20H14N2O5.C19H20N2O.C18H16N2O3.C18H16N2O2S.2C18H20N2O2S.C18H18N2O2/c1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-15-5-4-10-21-18(15)19(24)27-20(22)25;1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-18-15(5-4-10-21-18)19(24)27-20(22)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-5-17-18(20)6-3-10-19-17;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-6-17-5-3-10-19-18(17)20;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20/h2*1,4-10,12H,11H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3/b2*9-7+;10-9+;;;2*12-9+;6-5+.
What are the key properties of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione has a molecular weight of 2601.03 g/mol, XLogP of 25.25, 22 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 157224970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).