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

C75H79ClF4N14O7S2 — CID 164977026

IUPAC4-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
SMILESCOC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc(-c3ccc(F)cc3)[nH]c(=O)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(Cl)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#Cc1ccc(F)cc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C21H24FN5O2S.C16H12ClFN2.C16H13FN2O.C10H13NO2.C7H4FN.C5H13N3O2S/c1-13-9-18-19(10-14(13)2)25-20(16-3-5-17(22)6-4-16)26-21(18)27-11-15(12-27)7-8-24-30(23,28)29;1-9-7-13-14(8-10(9)2)19-16(20-15(13)17)11-3-5-12(18)6-4-11;1-9-7-13-14(8-10(9)2)18-15(19-16(13)20)11-3-5-12(17)6-4-11;1-6-4-8(10(12)13-3)9(11)5-7(6)2;8-7-3-1-6(5-9)2-4-7;6-11(9,10)8-2-1-5-3-7-4-5/h3-6,9-10,15,24H,7-8,11-12H2,1-2H3,(H2,23,28,29);3-8H,1-2H3;3-8H,1-2H3,(H,18,19,20);4-5H,11H2,1-3H3;1-4H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyDXWBLJAKMCRJRC-UHFFFAOYSA-N
MW1464.13 g/mol
LogP12.48
Rot. Bonds13

About 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

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 (PubChem CID 164977026) has the molecular formula C75H79ClF4N14O7S2 and a molecular weight of 1464.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID164977026
Molecular FormulaC75H79ClF4N14O7S2
Molecular Weight1464.13 g/mol
Exact Mass1462.53
IUPAC Name4-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
SMILESCOC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc(-c3ccc(F)cc3)[nH]c(=O)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(Cl)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#Cc1ccc(F)cc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C21H24FN5O2S.C16H12ClFN2.C16H13FN2O.C10H13NO2.C7H4FN.C5H13N3O2S/c1-13-9-18-19(10-14(13)2)25-20(16-3-5-17(22)6-4-16)26-21(18)27-11-15(12-27)7-8-24-30(23,28)29;1-9-7-13-14(8-10(9)2)19-16(20-15(13)17)11-3-5-12(18)6-4-11;1-9-7-13-14(8-10(9)2)18-15(19-16(13)20)11-3-5-12(17)6-4-11;1-6-4-8(10(12)13-3)9(11)5-7(6)2;8-7-3-1-6(5-9)2-4-7;6-11(9,10)8-2-1-5-3-7-4-5/h3-6,9-10,15,24H,7-8,11-12H2,1-2H3,(H2,23,28,29);3-8H,1-2H3;3-8H,1-2H3,(H,18,19,20);4-5H,11H2,1-3H3;1-4H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyDXWBLJAKMCRJRC-UHFFFAOYSA-N
XLogP12.48
TPSA333.07 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.13
LogP ≤ 512.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethanamine;2,4-dichloro-6,7-dimethylquinazoline;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;6,7-dimethyl-2-oxo-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-1H-quinazoline;6,7-dimethyl-1H-quinazoline-2,4-dione;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;2,2,2-trifluoroacetic acid;urea;hydrochloride
CID 165094512
2,4-Dichloro-5-phenylquinazoline;methyl 4-[[(2-cyano-5-phenylquinazolin-4-yl)amino]methyl]benzoate
CID 161607471
4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164963326
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
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
adamantane-1-carbonitrile;2-(1-adamantyl)-4-chloro-7-methylquinazoline;2-(1-adamantyl)-7-methyl-3H-quinazolin-4-one;2-(1-adamantyl)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-amino-4-methylbenzoic acid;methyl 2-amino-4-methylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165005598
4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-3H-quinazolin-4-one;6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-5-bromo-4-methylbenzoate;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 165041949
2-amino-5-fluoro-4-methylbenzoic acid;2-amino-4-methylbenzoic acid;4-chloro-6-fluoro-7-methylquinazoline;6-fluoro-7-methyl-3H-quinazolin-4-one;6-fluoro-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165059375
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
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
4-chloro-6,7-dimethyl-2-pyridin-4-ylquinazoline;6,7-dimethyl-2-pyridin-4-yl-3H-quinazolin-4-one;6,7-dimethyl-2-pyridin-4-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;pyridine-4-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165083751

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc(-c3ccc(F)cc3)[nH]c(=O)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(Cl)c2cc1C.Cc1cc2nc(-c3ccc(F)cc3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.N#Cc1ccc(F)cc1.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 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?
The InChIKey is DXWBLJAKMCRJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S.C16H12ClFN2.C16H13FN2O.C10H13NO2.C7H4FN.C5H13N3O2S/c1-13-9-18-19(10-14(13)2)25-20(16-3-5-17(22)6-4-16)26-21(18)27-11-15(12-27)7-8-24-30(23,28)29;1-9-7-13-14(8-10(9)2)19-16(20-15(13)17)11-3-5-12(18)6-4-11;1-9-7-13-14(8-10(9)2)18-15(19-16(13)20)11-3-5-12(17)6-4-11;1-6-4-8(10(12)13-3)9(11)5-7(6)2;8-7-3-1-6(5-9)2-4-7;6-11(9,10)8-2-1-5-3-7-4-5/h3-6,9-10,15,24H,7-8,11-12H2,1-2H3,(H2,23,28,29);3-8H,1-2H3;3-8H,1-2H3,(H,18,19,20);4-5H,11H2,1-3H3;1-4H;5,7-8H,1-4H2,(H2,6,9,10).
What are the key properties of 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?
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 has a molecular weight of 1464.13 g/mol, XLogP of 12.48, 13 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164977026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).