azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione

C27H22Br3Cl3N8O5 — CID 158076280

IUPACazane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc(Br)c2[nH]c(=O)[nH]c(=O)c2c1.COc1cc(Br)c2nc(Cl)nc(Cl)c2c1.COc1cc(Br)c2nc(Cl)nc(N)c2c1.N
InChIInChI=1S/C9H5BrCl2N2O.C9H7BrClN3O.C9H7BrN2O3.H3N/c1-15-4-2-5-7(6(10)3-4)13-9(12)14-8(5)11;1-15-4-2-5-7(6(10)3-4)13-9(11)14-8(5)12;1-15-4-2-5-7(6(10)3-4)11-9(14)12-8(5)13;/h2-3H,1H3;2-3H,1H3,(H2,12,13,14);2-3H,1H3,(H2,11,12,13,14);1H3
InChIKeyIEXABRMJYJRFGM-UHFFFAOYSA-N
MW884.59 g/mol
LogP7.49
Rot. Bonds3

About azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione

azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione (PubChem CID 158076280) has the molecular formula C27H22Br3Cl3N8O5 and a molecular weight of 884.59 g/mol. Its IUPAC name is azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Nameazane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione
PubChem CID158076280
Molecular FormulaC27H22Br3Cl3N8O5
Molecular Weight884.59 g/mol
Exact Mass879.83
IUPAC Nameazane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc(Br)c2[nH]c(=O)[nH]c(=O)c2c1.COc1cc(Br)c2nc(Cl)nc(Cl)c2c1.COc1cc(Br)c2nc(Cl)nc(N)c2c1.N
InChIInChI=1S/C9H5BrCl2N2O.C9H7BrClN3O.C9H7BrN2O3.H3N/c1-15-4-2-5-7(6(10)3-4)13-9(12)14-8(5)11;1-15-4-2-5-7(6(10)3-4)13-9(11)14-8(5)12;1-15-4-2-5-7(6(10)3-4)11-9(14)12-8(5)13;/h2-3H,1H3;2-3H,1H3,(H2,12,13,14);2-3H,1H3,(H2,11,12,13,14);1H3
InChIKeyIEXABRMJYJRFGM-UHFFFAOYSA-N
XLogP7.49
TPSA205.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.59
LogP ≤ 57.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
CID 160733512
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;methane
CID 163983248
2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 162028964
8-bromo-2-chloroquinazolin-4-amine;8-bromo-2,4-dichloroquinazoline;oxolane
CID 159859261
8-bromo-2-chloro-6-methoxyquinoline
CID 169499704
azane;8-bromo-2-chloro-7-methylquinazolin-4-amine;8-bromo-2,4-dichloro-7-methylquinazoline;hydrate
CID 157202370
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
CID 136799212
(E)-3-[4-(4-amino-2-chloro-6-methoxyquinazolin-8-yl)-3,5-dimethylphenyl]prop-2-enenitrile
CID 121448171
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
12-methoxy-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 142642110
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
CID 118010690
8-bromo-4-iodo-6-methoxy-2-methylquinoline
CID 167314251

Frequently Asked Questions

What is the IUPAC name of azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione (CID 158076280) is azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione is COc1cc(Br)c2[nH]c(=O)[nH]c(=O)c2c1.COc1cc(Br)c2nc(Cl)nc(Cl)c2c1.COc1cc(Br)c2nc(Cl)nc(N)c2c1.N.
What is the InChIKey of azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is IEXABRMJYJRFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O.C9H7BrClN3O.C9H7BrN2O3.H3N/c1-15-4-2-5-7(6(10)3-4)13-9(12)14-8(5)11;1-15-4-2-5-7(6(10)3-4)13-9(11)14-8(5)12;1-15-4-2-5-7(6(10)3-4)11-9(14)12-8(5)13;/h2-3H,1H3;2-3H,1H3,(H2,12,13,14);2-3H,1H3,(H2,11,12,13,14);1H3.
What are the key properties of azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione?
azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 884.59 g/mol, XLogP of 7.49, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 158076280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).