4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine

C55H67ClF8N14O9S2 — CID 165080133

IUPAC4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOC(=O)c1cc(C)c(C)cc1N.COc1cc2nc(C(F)F)[nH]c(=O)c2cc1C.COc1cc2nc(C(F)F)nc(Cl)c2cc1C.Cc1cc2nc(C(F)F)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#CC(F)F.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C16H21F2N5O2S.C11H9ClF2N2O.C11H10F2N2O2.C10H13NO2.C5H13N3O2S.C2HF2N/c1-9-5-12-13(6-10(9)2)21-15(14(17)18)22-16(12)23-7-11(8-23)3-4-20-26(19,24)25;1-5-3-6-7(4-8(5)17-2)15-11(10(13)14)16-9(6)12;1-5-3-6-7(4-8(5)17-2)14-10(9(12)13)15-11(6)16;1-6-4-8(10(12)13-3)9(11)5-7(6)2;6-11(9,10)8-2-1-5-3-7-4-5;3-2(4)1-5/h5-6,11,14,20H,3-4,7-8H2,1-2H3,(H2,19,24,25);3-4,10H,1-2H3;3-4,9H,1-2H3,(H,14,15,16);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2H
InChIKeyUZCPJQAQEWROEJ-UHFFFAOYSA-N
MW1319.80 g/mol
LogP8.36
Rot. Bonds15

About 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine

4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165080133) has the molecular formula C55H67ClF8N14O9S2 and a molecular weight of 1319.80 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID165080133
Molecular FormulaC55H67ClF8N14O9S2
Molecular Weight1319.80 g/mol
Exact Mass1318.42
IUPAC Name4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOC(=O)c1cc(C)c(C)cc1N.COc1cc2nc(C(F)F)[nH]c(=O)c2cc1C.COc1cc2nc(C(F)F)nc(Cl)c2cc1C.Cc1cc2nc(C(F)F)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#CC(F)F.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C16H21F2N5O2S.C11H9ClF2N2O.C11H10F2N2O2.C10H13NO2.C5H13N3O2S.C2HF2N/c1-9-5-12-13(6-10(9)2)21-15(14(17)18)22-16(12)23-7-11(8-23)3-4-20-26(19,24)25;1-5-3-6-7(4-8(5)17-2)15-11(10(13)14)16-9(6)12;1-5-3-6-7(4-8(5)17-2)14-10(9(12)13)15-11(6)16;1-6-4-8(10(12)13-3)9(11)5-7(6)2;6-11(9,10)8-2-1-5-3-7-4-5;3-2(4)1-5/h5-6,11,14,20H,3-4,7-8H2,1-2H3,(H2,19,24,25);3-4,10H,1-2H3;3-4,9H,1-2H3,(H,14,15,16);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2H
InChIKeyUZCPJQAQEWROEJ-UHFFFAOYSA-N
XLogP8.36
TPSA351.53 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001319.80
LogP ≤ 58.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine with MolForge

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Related Compounds

2-amino-4-methoxybenzoic acid;4-chloro-2-cyclopropyl-7-methylquinazoline;cyclopropanecarbonitrile;2-cyclopropyl-7-methyl-3H-quinazolin-4-one;2-cyclopropyl-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164954338
4-chloro-2-cyclopropyl-6,7-dimethylquinazoline;cyclopropanecarbonitrile;2-cyclopropyl-6,7-dimethyl-3H-quinazolin-4-one;2-cyclopropyl-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164974159
4-chloro-2-(4-fluorophenyl)-6,7-dimethylquinazoline;4-fluorobenzonitrile;2-(4-fluorophenyl)-6,7-dimethyl-3H-quinazolin-4-one;2-(4-fluorophenyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164977026
benzonitrile;4-chloro-6,7-dimethyl-2-phenylquinazoline;6,7-dimethyl-2-phenyl-3H-quinazolin-4-one;6,7-dimethyl-2-phenyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165004709
2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165007371
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
benzonitrile;4-chloro-7-methyl-2-phenylquinazoline;2-(4-fluorophenyl)-7-methyl-3H-quinazolin-4-one;methyl 2-amino-4-methoxybenzoate;7-methyl-2-phenyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165076075
sodium;4-chloro-2,6,7-trimethylquinazoline;ethanimidamide;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine;2,6,7-trimethyl-3H-quinazolin-4-one;2,6,7-trimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;acetate;hydrochloride
CID 165079823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine (CID 165080133) is 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine is COC(=O)c1cc(C)c(C)cc1N.COc1cc2nc(C(F)F)[nH]c(=O)c2cc1C.COc1cc2nc(C(F)F)nc(Cl)c2cc1C.Cc1cc2nc(C(F)F)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#CC(F)F.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is UZCPJQAQEWROEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2S.C11H9ClF2N2O.C11H10F2N2O2.C10H13NO2.C5H13N3O2S.C2HF2N/c1-9-5-12-13(6-10(9)2)21-15(14(17)18)22-16(12)23-7-11(8-23)3-4-20-26(19,24)25;1-5-3-6-7(4-8(5)17-2)15-11(10(13)14)16-9(6)12;1-5-3-6-7(4-8(5)17-2)14-10(9(12)13)15-11(6)16;1-6-4-8(10(12)13-3)9(11)5-7(6)2;6-11(9,10)8-2-1-5-3-7-4-5;3-2(4)1-5/h5-6,11,14,20H,3-4,7-8H2,1-2H3,(H2,19,24,25);3-4,10H,1-2H3;3-4,9H,1-2H3,(H,14,15,16);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2H.
What are the key properties of 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine?
4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1319.80 g/mol, XLogP of 8.36, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165080133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).