8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine

C93H108Cl6N12O14S — CID 157107607

About 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine

8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine (PubChem CID 157107607) has the molecular formula C93H108Cl6N12O14S and a molecular weight of 1862.74 g/mol. Its IUPAC name is 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine.

Molecular Properties

• Compound Name: 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine
• PubChem CID: 157107607
• Molecular Formula: C93H108Cl6N12O14S
• Molecular Weight: 1862.74 g/mol
• Exact Mass: 1858.60
• IUPAC Name: 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine
• SMILES: COCCNc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(OC(C)C)cc(C#N)nc2c1Cl.COc1ccc2c(OC(C)C)cc(C=C(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CO)nc2c1Cl.COc1ccc2c(OC(C)C)cc(NC(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(Sc3nncn3C)nc2c1Cl
• InChI: InChI=1S/C17H20ClNO2.C16H17ClN4O2S.C16H21ClN2O3.C16H21ClN2O2.C14H13ClN2O2.C14H16ClNO3/c1-10(2)8-12-9-15(21-11(3)4)13-6-7-14(20-5)16(18)17(13)19-12;1-9(2)23-12-7-13(24-16-20-18-8-21(16)3)19-15-10(12)5-6-11(22-4)14(15)17;1-10(2)22-13-9-14(18-7-8-20-3)19-16-11(13)5-6-12(21-4)15(16)17;1-9(2)18-14-8-13(21-10(3)4)11-6-7-12(20-5)15(17)16(11)19-14;1-8(2)19-12-6-9(7-16)17-14-10(12)4-5-11(18-3)13(14)15;1-8(2)19-12-6-9(7-17)16-14-10(12)4-5-11(18-3)13(14)15/h6-9,11H,1-5H3;5-9H,1-4H3;5-6,9-10H,7-8H2,1-4H3,(H,18,19);6-10H,1-5H3,(H,18,19);4-6,8H,1-3H3;4-6,8,17H,7H2,1-3H3
• InChIKey: AGLZXRWGQNPAGO-UHFFFAOYSA-N
• XLogP: 24.05
• TPSA: 296.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.74
LogP ≤ 5	24.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?

The IUPAC name of 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine (CID 157107607) is 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine.

What is the SMILES notation for 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?

The canonical SMILES for 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine is COCCNc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(OC(C)C)cc(C#N)nc2c1Cl.COc1ccc2c(OC(C)C)cc(C=C(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CO)nc2c1Cl.COc1ccc2c(OC(C)C)cc(NC(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(Sc3nncn3C)nc2c1Cl.

What is the InChIKey of 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?

The InChIKey is AGLZXRWGQNPAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2.C16H17ClN4O2S.C16H21ClN2O3.C16H21ClN2O2.C14H13ClN2O2.C14H16ClNO3/c1-10(2)8-12-9-15(21-11(3)4)13-6-7-14(20-5)16(18)17(13)19-12;1-9(2)23-12-7-13(24-16-20-18-8-21(16)3)19-15-10(12)5-6-11(22-4)14(15)17;1-10(2)22-13-9-14(18-7-8-20-3)19-16-11(13)5-6-12(21-4)15(16)17;1-9(2)18-14-8-13(21-10(3)4)11-6-7-12(20-5)15(17)16(11)19-14;1-8(2)19-12-6-9(7-16)17-14-10(12)4-5-11(18-3)13(14)15;1-8(2)19-12-6-9(7-17)16-14-10(12)4-5-11(18-3)13(14)15/h6-9,11H,1-5H3;5-9H,1-4H3;5-6,9-10H,7-8H2,1-4H3,(H,18,19);6-10H,1-5H3,(H,18,19);4-6,8H,1-3H3;4-6,8,17H,7H2,1-3H3.

What are the key properties of 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?

8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine has a molecular weight of 1862.74 g/mol, XLogP of 24.05, 28 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-methoxy-N-(2-methoxyethyl)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol;8-chloro-7-methoxy-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine is sourced from PubChem (CID 157107607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).