2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine

C53H61Br4ClN14O12S2 — CID 165105175

IUPAC2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOc1cc(N)c(C(=O)O)cc1Br.COc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1Br.COc1ccc(C(=O)O)c(N)c1.Cc1cc2nc[nH]c(=O)c2cc1Br.Cc1cc2ncnc(Cl)c2cc1Br.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C14H18BrN5O3S.C9H6BrClN2.C9H7BrN2O.C8H8BrNO3.C8H9NO3.C5H13N3O2S/c1-23-13-5-12-10(4-11(13)15)14(18-8-17-12)20-6-9(7-20)2-3-19-24(16,21)22;1-5-2-8-6(3-7(5)10)9(11)13-4-12-8;1-5-2-8-6(3-7(5)10)9(13)12-4-11-8;1-13-7-3-6(10)4(8(11)12)2-5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,16,21,22);2-4H,1H3;2-4H,1H3,(H,11,12,13);2-3H,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyYZRZNGFQVXJBKU-UHFFFAOYSA-N
MW1505.36 g/mol
LogP7.47
Rot. Bonds14

About 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine

2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165105175) has the molecular formula C53H61Br4ClN14O12S2 and a molecular weight of 1505.36 g/mol. Its IUPAC name is 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID165105175
Molecular FormulaC53H61Br4ClN14O12S2
Molecular Weight1505.36 g/mol
Exact Mass1500.05
IUPAC Name2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOc1cc(N)c(C(=O)O)cc1Br.COc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1Br.COc1ccc(C(=O)O)c(N)c1.Cc1cc2nc[nH]c(=O)c2cc1Br.Cc1cc2ncnc(Cl)c2cc1Br.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C14H18BrN5O3S.C9H6BrClN2.C9H7BrN2O.C8H8BrNO3.C8H9NO3.C5H13N3O2S/c1-23-13-5-12-10(4-11(13)15)14(18-8-17-12)20-6-9(7-20)2-3-19-24(16,21)22;1-5-2-8-6(3-7(5)10)9(11)13-4-12-8;1-5-2-8-6(3-7(5)10)9(13)12-4-11-8;1-13-7-3-6(10)4(8(11)12)2-5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,16,21,22);2-4H,1H3;2-4H,1H3,(H,11,12,13);2-3H,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyYZRZNGFQVXJBKU-UHFFFAOYSA-N
XLogP7.47
TPSA411.29 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.36
LogP ≤ 57.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine 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

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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine (CID 165105175) is 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine is COc1cc(N)c(C(=O)O)cc1Br.COc1cc2ncnc(N3CC(CCNS(N)(=O)=O)C3)c2cc1Br.COc1ccc(C(=O)O)c(N)c1.Cc1cc2nc[nH]c(=O)c2cc1Br.Cc1cc2ncnc(Cl)c2cc1Br.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is YZRZNGFQVXJBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O3S.C9H6BrClN2.C9H7BrN2O.C8H8BrNO3.C8H9NO3.C5H13N3O2S/c1-23-13-5-12-10(4-11(13)15)14(18-8-17-12)20-6-9(7-20)2-3-19-24(16,21)22;1-5-2-8-6(3-7(5)10)9(11)13-4-12-8;1-5-2-8-6(3-7(5)10)9(13)12-4-11-8;1-13-7-3-6(10)4(8(11)12)2-5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,16,21,22);2-4H,1H3;2-4H,1H3,(H,11,12,13);2-3H,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10).
What are the key properties of 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine?
2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1505.36 g/mol, XLogP of 7.47, 14 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165105175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).