2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate

C83H110Br3Cl2N13O12Si — CID 157271343

IUPAC2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate
SMILESCC(C)(C)[Si](C)(C)Cl.CCCN(C)c1cccc2nc(C3CC3)[nH]c(=O)c12.CN(CCO)c1cccc2nc(C3CC3)[nH]c(=O)c12.CNCCO.COc1ccccc1C1CCNCC1.N.Nc1cccc(Br)c1C(=O)O.O.O=C(Cl)C1CC1.O=c1[nH]c(C2CC2)nc2cccc(Br)c12.O=c1oc(C2CC2)nc2cccc(Br)c12
InChIInChI=1S/C15H19N3O.C14H17N3O2.C12H17NO.C11H9BrN2O.C11H8BrNO2.C7H6BrNO2.C6H15ClSi.C4H5ClO.C3H9NO.H3N.H2O/c1-3-9-18(2)12-6-4-5-11-13(12)15(19)17-14(16-11)10-7-8-10;1-17(7-8-18)11-4-2-3-10-12(11)14(19)16-13(15-10)9-5-6-9;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-7-2-1-3-8-9(7)11(15)14-10(13-8)6-4-5-6;12-7-2-1-3-8-9(7)11(14)15-10(13-8)6-4-5-6;8-4-2-1-3-5(9)6(4)7(10)11;1-6(2,3)8(4,5)7;5-4(6)3-1-2-3;1-4-2-3-5;;/h4-6,10H,3,7-9H2,1-2H3,(H,16,17,19);2-4,9,18H,5-8H2,1H3,(H,15,16,19);2-5,10,13H,6-9H2,1H3;1-3,6H,4-5H2,(H,13,14,15);1-3,6H,4-5H2;1-3H,9H2,(H,10,11);1-5H3;3H,1-2H2;4-5H,2-3H2,1H3;1H3;1H2
InChIKeySKDZODKJMJNJID-UHFFFAOYSA-N
MW1820.58 g/mol
LogP16.09
Rot. Bonds16

About 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate

2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate (PubChem CID 157271343) has the molecular formula C83H110Br3Cl2N13O12Si and a molecular weight of 1820.58 g/mol. Its IUPAC name is 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate.

Molecular Properties

Compound Name2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate
PubChem CID157271343
Molecular FormulaC83H110Br3Cl2N13O12Si
Molecular Weight1820.58 g/mol
Exact Mass1815.51
IUPAC Name2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate
SMILESCC(C)(C)[Si](C)(C)Cl.CCCN(C)c1cccc2nc(C3CC3)[nH]c(=O)c12.CN(CCO)c1cccc2nc(C3CC3)[nH]c(=O)c12.CNCCO.COc1ccccc1C1CCNCC1.N.Nc1cccc(Br)c1C(=O)O.O.O=C(Cl)C1CC1.O=c1[nH]c(C2CC2)nc2cccc(Br)c12.O=c1oc(C2CC2)nc2cccc(Br)c12
InChIInChI=1S/C15H19N3O.C14H17N3O2.C12H17NO.C11H9BrN2O.C11H8BrNO2.C7H6BrNO2.C6H15ClSi.C4H5ClO.C3H9NO.H3N.H2O/c1-3-9-18(2)12-6-4-5-11-13(12)15(19)17-14(16-11)10-7-8-10;1-17(7-8-18)11-4-2-3-10-12(11)14(19)16-13(15-10)9-5-6-9;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-7-2-1-3-8-9(7)11(15)14-10(13-8)6-4-5-6;12-7-2-1-3-8-9(7)11(14)15-10(13-8)6-4-5-6;8-4-2-1-3-5(9)6(4)7(10)11;1-6(2,3)8(4,5)7;5-4(6)3-1-2-3;1-4-2-3-5;;/h4-6,10H,3,7-9H2,1-2H3,(H,16,17,19);2-4,9,18H,5-8H2,1H3,(H,15,16,19);2-5,10,13H,6-9H2,1H3;1-3,6H,4-5H2,(H,13,14,15);1-3,6H,4-5H2;1-3H,9H2,(H,10,11);1-5H3;3H,1-2H2;4-5H,2-3H2,1H3;1H3;1H2
InChIKeySKDZODKJMJNJID-UHFFFAOYSA-N
XLogP16.09
TPSA407.47 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.58
LogP ≤ 516.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate with MolForge

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Related Compounds

2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-5-amine;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;methane;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate;hydrochloride
CID 160583923

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate?
The IUPAC name of 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate (CID 157271343) is 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate.
What is the SMILES notation for 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate?
The canonical SMILES for 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate is CC(C)(C)[Si](C)(C)Cl.CCCN(C)c1cccc2nc(C3CC3)[nH]c(=O)c12.CN(CCO)c1cccc2nc(C3CC3)[nH]c(=O)c12.CNCCO.COc1ccccc1C1CCNCC1.N.Nc1cccc(Br)c1C(=O)O.O.O=C(Cl)C1CC1.O=c1[nH]c(C2CC2)nc2cccc(Br)c12.O=c1oc(C2CC2)nc2cccc(Br)c12.
What is the InChIKey of 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate?
The InChIKey is SKDZODKJMJNJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C14H17N3O2.C12H17NO.C11H9BrN2O.C11H8BrNO2.C7H6BrNO2.C6H15ClSi.C4H5ClO.C3H9NO.H3N.H2O/c1-3-9-18(2)12-6-4-5-11-13(12)15(19)17-14(16-11)10-7-8-10;1-17(7-8-18)11-4-2-3-10-12(11)14(19)16-13(15-10)9-5-6-9;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-7-2-1-3-8-9(7)11(15)14-10(13-8)6-4-5-6;12-7-2-1-3-8-9(7)11(14)15-10(13-8)6-4-5-6;8-4-2-1-3-5(9)6(4)7(10)11;1-6(2,3)8(4,5)7;5-4(6)3-1-2-3;1-4-2-3-5;;/h4-6,10H,3,7-9H2,1-2H3,(H,16,17,19);2-4,9,18H,5-8H2,1H3,(H,15,16,19);2-5,10,13H,6-9H2,1H3;1-3,6H,4-5H2,(H,13,14,15);1-3,6H,4-5H2;1-3H,9H2,(H,10,11);1-5H3;3H,1-2H2;4-5H,2-3H2,1H3;1H3;1H2.
What are the key properties of 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate?
2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate has a molecular weight of 1820.58 g/mol, XLogP of 16.09, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromobenzoic acid;azane;5-bromo-2-cyclopropyl-3,1-benzoxazin-4-one;5-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-chloro-dimethylsilane;cyclopropanecarbonyl chloride;2-cyclopropyl-5-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-cyclopropyl-5-[methyl(propyl)amino]-3H-quinazolin-4-one;4-(2-methoxyphenyl)piperidine;2-(methylamino)ethanol;hydrate is sourced from PubChem (CID 157271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).