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

C62H85B3BrClN14O12S2 — CID 165041949

IUPAC4-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
SMILESCB1OB(C)OB(C)O1.COC(=O)c1cc(Br)c(C)cc1N.COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc[nH]c(=O)c2cc1C.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C15H21N5O2S.C10H9ClN2.C10H10N2O.C10H13NO2.C9H10BrNO2.C5H13N3O2S.C3H9B3O3/c1-10-5-13-14(6-11(10)2)17-9-18-15(13)20-7-12(8-20)3-4-19-23(16,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6-3-8-9(4-7(6)2)11-5-12-10(8)13;1-6-4-8(10(12)13-3)9(11)5-7(6)2;1-5-3-8(11)6(4-7(5)10)9(12)13-2;6-11(9,10)8-2-1-5-3-7-4-5;1-4-7-5(2)9-6(3)8-4/h5-6,9,12,19H,3-4,7-8H2,1-2H3,(H2,16,21,22);3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-4H,11H2,1-2H3;5,7-8H,1-4H2,(H2,6,9,10);1-3H3
InChIKeyOGPJSVYPWMRGEX-UHFFFAOYSA-N
MW1430.37 g/mol
LogP7.90
Rot. Bonds11

About 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

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 (PubChem CID 165041949) has the molecular formula C62H85B3BrClN14O12S2 and a molecular weight of 1430.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID165041949
Molecular FormulaC62H85B3BrClN14O12S2
Molecular Weight1430.37 g/mol
Exact Mass1428.51
IUPAC Name4-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
SMILESCB1OB(C)OB(C)O1.COC(=O)c1cc(Br)c(C)cc1N.COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc[nH]c(=O)c2cc1C.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C15H21N5O2S.C10H9ClN2.C10H10N2O.C10H13NO2.C9H10BrNO2.C5H13N3O2S.C3H9B3O3/c1-10-5-13-14(6-11(10)2)17-9-18-15(13)20-7-12(8-20)3-4-19-23(16,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6-3-8-9(4-7(6)2)11-5-12-10(8)13;1-6-4-8(10(12)13-3)9(11)5-7(6)2;1-5-3-8(11)6(4-7(5)10)9(12)13-2;6-11(9,10)8-2-1-5-3-7-4-5;1-4-7-5(2)9-6(3)8-4/h5-6,9,12,19H,3-4,7-8H2,1-2H3,(H2,16,21,22);3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-4H,11H2,1-2H3;5,7-8H,1-4H2,(H2,6,9,10);1-3H3
InChIKeyOGPJSVYPWMRGEX-UHFFFAOYSA-N
XLogP7.90
TPSA389.29 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001430.37
LogP ≤ 57.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CB1OB(C)OB(C)O1.COC(=O)c1cc(Br)c(C)cc1N.COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc[nH]c(=O)c2cc1C.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 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?
The InChIKey is OGPJSVYPWMRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S.C10H9ClN2.C10H10N2O.C10H13NO2.C9H10BrNO2.C5H13N3O2S.C3H9B3O3/c1-10-5-13-14(6-11(10)2)17-9-18-15(13)20-7-12(8-20)3-4-19-23(16,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6-3-8-9(4-7(6)2)11-5-12-10(8)13;1-6-4-8(10(12)13-3)9(11)5-7(6)2;1-5-3-8(11)6(4-7(5)10)9(12)13-2;6-11(9,10)8-2-1-5-3-7-4-5;1-4-7-5(2)9-6(3)8-4/h5-6,9,12,19H,3-4,7-8H2,1-2H3,(H2,16,21,22);3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-4H,11H2,1-2H3;5,7-8H,1-4H2,(H2,6,9,10);1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1430.37 g/mol, XLogP of 7.90, 11 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165041949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).