4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine

C59H83ClN14O15S2 — CID 165068485

About 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine

4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165068485) has the molecular formula C59H83ClN14O15S2 and a molecular weight of 1327.98 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

• Compound Name: 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
• PubChem CID: 165068485
• Molecular Formula: C59H83ClN14O15S2
• Molecular Weight: 1327.98 g/mol
• Exact Mass: 1326.53
• IUPAC Name: 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
• SMILES: CCC#N.CCc1nc(Cl)c2cc(OC)c(OC)cc2n1.CCc1nc(N2CC(CCNS(N)(=O)=O)C2)c2cc(OC)c(OC)cc2n1.CCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.COC(=O)c1cc(OC)c(OC)cc1N.NS(=O)(=O)NCCC1CNC1
• InChI: InChI=1S/C17H25N5O4S.C12H13ClN2O2.C12H14N2O3.C10H13NO4.C5H13N3O2S.C3H5N/c1-4-16-20-13-8-15(26-3)14(25-2)7-12(13)17(21-16)22-9-11(10-22)5-6-19-27(18,23)24;1-4-11-14-8-6-10(17-3)9(16-2)5-7(8)12(13)15-11;1-4-11-13-8-6-10(17-3)9(16-2)5-7(8)12(15)14-11;1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2;6-11(9,10)8-2-1-5-3-7-4-5;1-2-3-4/h7-8,11,19H,4-6,9-10H2,1-3H3,(H2,18,23,24);5-6H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,13,14,15);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2H2,1H3
• InChIKey: SIZAFJMBKDETDY-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 406.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.98
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The IUPAC name of 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine (CID 165068485) is 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

What is the SMILES notation for 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The canonical SMILES for 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine is CCC#N.CCc1nc(Cl)c2cc(OC)c(OC)cc2n1.CCc1nc(N2CC(CCNS(N)(=O)=O)C2)c2cc(OC)c(OC)cc2n1.CCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.COC(=O)c1cc(OC)c(OC)cc1N.NS(=O)(=O)NCCC1CNC1.

What is the InChIKey of 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The InChIKey is SIZAFJMBKDETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S.C12H13ClN2O2.C12H14N2O3.C10H13NO4.C5H13N3O2S.C3H5N/c1-4-16-20-13-8-15(26-3)14(25-2)7-12(13)17(21-16)22-9-11(10-22)5-6-19-27(18,23)24;1-4-11-14-8-6-10(17-3)9(16-2)5-7(8)12(13)15-11;1-4-11-13-8-6-10(17-3)9(16-2)5-7(8)12(15)14-11;1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2;6-11(9,10)8-2-1-5-3-7-4-5;1-2-3-4/h7-8,11,19H,4-6,9-10H2,1-3H3,(H2,18,23,24);5-6H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,13,14,15);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2H2,1H3.

What are the key properties of 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1327.98 g/mol, XLogP of 5.58, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165068485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).