6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

C101H86Br5ClN10O20 — CID 159136512

About 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 159136512) has the molecular formula C101H86Br5ClN10O20 and a molecular weight of 2194.82 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
• PubChem CID: 159136512
• Molecular Formula: C101H86Br5ClN10O20
• Molecular Weight: 2194.82 g/mol
• Exact Mass: 2188.16
• IUPAC Name: 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
• SMILES: COc1cc(CC(C)=O)ccc1Br.COc1cc(N)ccc1Br.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)O)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C=O)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)C=C(C=O)C(=O)C2.COc1cc2c(cc1Br)cc(C=O)c(=O)n2Cc1ccccn1.COc1cc2nc(Cl)c(C=O)cc2cc1Br
• InChI: InChI=1S/C22H19N3O5.C22H19N3O4.C17H13BrN2O3.C12H9BrO3.C11H7BrClNO2.C10H11BrO2.C7H8BrNO/c1-12-20(13(2)30-24-12)16-8-14-9-17(22(27)28)21(26)25(18(14)10-19(16)29-3)11-15-6-4-5-7-23-15;1-13-21(14(2)29-24-13)18-9-15-8-16(12-26)22(27)25(19(15)10-20(18)28-3)11-17-6-4-5-7-23-17;1-23-16-8-15-11(7-14(16)18)6-12(10-21)17(22)20(15)9-13-4-2-3-5-19-13;1-16-12-5-8-4-11(15)9(6-14)2-7(8)3-10(12)13;1-16-10-4-9-6(3-8(10)12)2-7(5-15)11(13)14-9;1-7(12)5-8-3-4-9(11)10(6-8)13-2;1-10-7-4-5(9)2-3-6(7)8/h4-10H,11H2,1-3H3,(H,27,28);4-10,12H,11H2,1-3H3;2-8,10H,9H2,1H3;2-3,5-6H,4H2,1H3;2-5H,1H3;3-4,6H,5H2,1-2H3;2-4H,9H2,1H3
• InChIKey: KHOCGLXRBWVIHZ-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 399.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.82
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?

The IUPAC name of 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (CID 159136512) is 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.

What is the SMILES notation for 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?

The canonical SMILES for 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is COc1cc(CC(C)=O)ccc1Br.COc1cc(N)ccc1Br.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)O)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C=O)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)C=C(C=O)C(=O)C2.COc1cc2c(cc1Br)cc(C=O)c(=O)n2Cc1ccccn1.COc1cc2nc(Cl)c(C=O)cc2cc1Br.

What is the InChIKey of 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?

The InChIKey is KHOCGLXRBWVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5.C22H19N3O4.C17H13BrN2O3.C12H9BrO3.C11H7BrClNO2.C10H11BrO2.C7H8BrNO/c1-12-20(13(2)30-24-12)16-8-14-9-17(22(27)28)21(26)25(18(14)10-19(16)29-3)11-15-6-4-5-7-23-15;1-13-21(14(2)29-24-13)18-9-15-8-16(12-26)22(27)25(19(15)10-20(18)28-3)11-17-6-4-5-7-23-17;1-23-16-8-15-11(7-14(16)18)6-12(10-21)17(22)20(15)9-13-4-2-3-5-19-13;1-16-12-5-8-4-11(15)9(6-14)2-7(8)3-10(12)13;1-16-10-4-9-6(3-8(10)12)2-7(5-15)11(13)14-9;1-7(12)5-8-3-4-9(11)10(6-8)13-2;1-10-7-4-5(9)2-3-6(7)8/h4-10H,11H2,1-3H3,(H,27,28);4-10,12H,11H2,1-3H3;2-8,10H,9H2,1H3;2-3,5-6H,4H2,1H3;2-5H,1H3;3-4,6H,5H2,1-2H3;2-4H,9H2,1H3.

What are the key properties of 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?

6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 2194.82 g/mol, XLogP of 20.26, 22 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 159136512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).