7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride

C56H41Cl3F6N10O9S2 — CID 165049976

About 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride

7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride (PubChem CID 165049976) has the molecular formula C56H41Cl3F6N10O9S2 and a molecular weight of 1282.49 g/mol. Its IUPAC name is 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride.

Molecular Properties

• Compound Name: 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride
• PubChem CID: 165049976
• Molecular Formula: C56H41Cl3F6N10O9S2
• Molecular Weight: 1282.49 g/mol
• Exact Mass: 1280.15
• IUPAC Name: 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride
• SMILES: CON.CONC(=O)c1csc2c(-c3cc(Cl)ccc3OCCn3c(C)nc4c(F)cc(C(F)F)c(C#N)c4c3=O)ccnc12.Cc1nc2c(F)cc(C(F)F)c(C#N)c2c(=O)n1CCOc1ccc(Cl)cc1-c1ccnc2c(C(=O)O)csc12.Cl
• InChI: InChI=1S/C28H19ClF3N5O4S.C27H16ClF3N4O4S.CH5NO.ClH/c1-13-35-24-20(30)10-17(26(31)32)18(11-33)22(24)28(39)37(13)7-8-41-21-4-3-14(29)9-16(21)15-5-6-34-23-19(12-42-25(15)23)27(38)36-40-2;1-12-34-23-19(29)9-16(25(30)31)17(10-32)21(23)26(36)35(12)6-7-39-20-3-2-13(28)8-15(20)14-4-5-33-22-18(27(37)38)11-40-24(14)22;1-3-2;/h3-6,9-10,12,26H,7-8H2,1-2H3,(H,36,38);2-5,8-9,11,25H,6-7H2,1H3,(H,37,38);2H2,1H3;1H
• InChIKey: LZAOVMZICWHPMY-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 272.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.49
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride?

The IUPAC name of 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride (CID 165049976) is 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride.

What is the SMILES notation for 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride?

The canonical SMILES for 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride is CON.CONC(=O)c1csc2c(-c3cc(Cl)ccc3OCCn3c(C)nc4c(F)cc(C(F)F)c(C#N)c4c3=O)ccnc12.Cc1nc2c(F)cc(C(F)F)c(C#N)c2c(=O)n1CCOc1ccc(Cl)cc1-c1ccnc2c(C(=O)O)csc12.Cl.

What is the InChIKey of 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride?

The InChIKey is LZAOVMZICWHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClF3N5O4S.C27H16ClF3N4O4S.CH5NO.ClH/c1-13-35-24-20(30)10-17(26(31)32)18(11-33)22(24)28(39)37(13)7-8-41-21-4-3-14(29)9-16(21)15-5-6-34-23-19(12-42-25(15)23)27(38)36-40-2;1-12-34-23-19(29)9-16(25(30)31)17(10-32)21(23)26(36)35(12)6-7-39-20-3-2-13(28)8-15(20)14-4-5-33-22-18(27(37)38)11-40-24(14)22;1-3-2;/h3-6,9-10,12,26H,7-8H2,1-2H3,(H,36,38);2-5,8-9,11,25H,6-7H2,1H3,(H,37,38);2H2,1H3;1H.

What are the key properties of 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride?

7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride has a molecular weight of 1282.49 g/mol, XLogP of 12.24, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-N-methoxythieno[3,2-b]pyridine-3-carboxamide;7-[5-chloro-2-[2-[5-cyano-6-(difluoromethyl)-8-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]thieno[3,2-b]pyridine-3-carboxylic acid;O-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 165049976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).