5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate

C118H121BrCl4N17O13S5+ — CID 161304749

About 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate

5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate (PubChem CID 161304749) has the molecular formula C118H121BrCl4N17O13S5+ and a molecular weight of 2367.42 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate.

Molecular Properties

• Compound Name: 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate
• PubChem CID: 161304749
• Molecular Formula: C118H121BrCl4N17O13S5+
• Molecular Weight: 2367.42 g/mol
• Exact Mass: 2362.59
• IUPAC Name: 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate
• SMILES: CC(CN)NC(=O)OC(C)(C)C.COC(=O)CS.COC(=O)c1sc2ccc3nc(C)ccc3c2c1N.COC(=O)c1sc2ccc3nc(C)ccc3c2c1NCC(C)C.COC(=O)c1sc2ccc3nc(C)ccc3c2c1NC[C@@H](C)N.Cc1ccc2c(Br)c(Cl)ccc2n1.Cc1ccc2c(C#N)c(Cl)ccc2n1.Cc1ccc2c(C(=O)O)c(Cl)ccc2n1.Cc1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1.Cc1ccc2cc(Cl)ccc2n1.[H+]
• InChI: InChI=1S/C18H20N2O2S.C17H19N3O2S.C16H15N3OS.C14H12N2O2S.C11H7ClN2.C11H8ClNO2.C10H7BrClN.C10H8ClN.C8H18N2O2.C3H6O2S/c1-10(2)9-19-16-15-12-6-5-11(3)20-13(12)7-8-14(15)23-17(16)18(21)22-4;1-9(18)8-19-15-14-11-5-4-10(2)20-12(11)6-7-13(14)23-16(15)17(21)22-3;1-8-3-4-10-11(18-8)5-6-12-13(10)14-15(21-12)16(20)19-9(2)7-17-14;1-7-3-4-8-9(16-7)5-6-10-11(8)12(15)13(19-10)14(17)18-2;1-7-2-3-8-9(6-13)10(12)4-5-11(8)14-7;1-6-2-3-7-9(13-6)5-4-8(12)10(7)11(14)15;1-6-2-3-7-9(13-6)5-4-8(12)10(7)11;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-6(5-9)10-7(11)12-8(2,3)4;1-5-3(4)2-6/h5-8,10,19H,9H2,1-4H3;4-7,9,19H,8,18H2,1-3H3;3-6,9,17H,7H2,1-2H3,(H,19,20);3-6H,15H2,1-2H3;2-5H,1H3;2-5H,1H3,(H,14,15);2-5H,1H3;2-6H,1H3;6H,5,9H2,1-4H3,(H,10,11);6H,2H2,1H3/p+1/t;2*9-;;;;;;;/m.11......./s1
• InChIKey: VICFNUJPDJPNFR-RQGRBQPVSA-O
• XLogP: 28.52
• TPSA: 450.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.42
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate?

The IUPAC name of 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate (CID 161304749) is 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate.

What is the SMILES notation for 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate?

The canonical SMILES for 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate is CC(CN)NC(=O)OC(C)(C)C.COC(=O)CS.COC(=O)c1sc2ccc3nc(C)ccc3c2c1N.COC(=O)c1sc2ccc3nc(C)ccc3c2c1NCC(C)C.COC(=O)c1sc2ccc3nc(C)ccc3c2c1NC[C@@H](C)N.Cc1ccc2c(Br)c(Cl)ccc2n1.Cc1ccc2c(C#N)c(Cl)ccc2n1.Cc1ccc2c(C(=O)O)c(Cl)ccc2n1.Cc1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1.Cc1ccc2cc(Cl)ccc2n1.[H+].

What is the InChIKey of 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate?

The InChIKey is VICFNUJPDJPNFR-RQGRBQPVSA-O. The full InChI is InChI=1S/C18H20N2O2S.C17H19N3O2S.C16H15N3OS.C14H12N2O2S.C11H7ClN2.C11H8ClNO2.C10H7BrClN.C10H8ClN.C8H18N2O2.C3H6O2S/c1-10(2)9-19-16-15-12-6-5-11(3)20-13(12)7-8-14(15)23-17(16)18(21)22-4;1-9(18)8-19-15-14-11-5-4-10(2)20-12(11)6-7-13(14)23-16(15)17(21)22-3;1-8-3-4-10-11(18-8)5-6-12-13(10)14-15(21-12)16(20)19-9(2)7-17-14;1-7-3-4-8-9(16-7)5-6-10-11(8)12(15)13(19-10)14(17)18-2;1-7-2-3-8-9(6-13)10(12)4-5-11(8)14-7;1-6-2-3-7-9(13-6)5-4-8(12)10(7)11(14)15;1-6-2-3-7-9(13-6)5-4-8(12)10(7)11;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-6(5-9)10-7(11)12-8(2,3)4;1-5-3(4)2-6/h5-8,10,19H,9H2,1-4H3;4-7,9,19H,8,18H2,1-3H3;3-6,9,17H,7H2,1-2H3,(H,19,20);3-6H,15H2,1-2H3;2-5H,1H3;2-5H,1H3,(H,14,15);2-5H,1H3;2-6H,1H3;6H,5,9H2,1-4H3,(H,10,11);6H,2H2,1H3/p+1/t;2*9-;;;;;;;/m.11......./s1.

What are the key properties of 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate?

5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate has a molecular weight of 2367.42 g/mol, XLogP of 28.52, 13 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloro-2-methylquinoline;tert-butyl N-(1-aminopropan-2-yl)carbamate;6-chloro-2-methylquinoline;6-chloro-2-methylquinoline-5-carbonitrile;6-chloro-2-methylquinoline-5-carboxylic acid;(15R)-5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;hydron;methyl 1-amino-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 1-[[(2R)-2-aminopropyl]amino]-7-methylthieno[3,2-f]quinoline-2-carboxylate;methyl 7-methyl-1-(2-methylpropylamino)thieno[3,2-f]quinoline-2-carboxylate;methyl 2-sulfanylacetate is sourced from PubChem (CID 161304749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).