N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride

C16H15BrClN3O2 — CID 22140737

IUPACN-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
SMILESCOc1ccc(Br)c(Nc2ncnc3cccc(OC)c23)c1.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/c1-21-10-6-7-11(17)13(8-10)20-16-15-12(18-9-19-16)4-3-5-14(15)22-2;/h3-9H,1-2H3,(H,18,19,20);1H
InChIKeyLDYNZZRPLMPWKE-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.57
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride

N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride (PubChem CID 22140737) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
PubChem CID22140737
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC NameN-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
SMILESCOc1ccc(Br)c(Nc2ncnc3cccc(OC)c23)c1.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/c1-21-10-6-7-11(17)13(8-10)20-16-15-12(18-9-19-16)4-3-5-14(15)22-2;/h3-9H,1-2H3,(H,18,19,20);1H
InChIKeyLDYNZZRPLMPWKE-UHFFFAOYSA-N
XLogP4.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 22140784
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80829815
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride (CID 22140737) is N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride is COc1ccc(Br)c(Nc2ncnc3cccc(OC)c23)c1.Cl.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride?
The InChIKey is LDYNZZRPLMPWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2.ClH/c1-21-10-6-7-11(17)13(8-10)20-16-15-12(18-9-19-16)4-3-5-14(15)22-2;/h3-9H,1-2H3,(H,18,19,20);1H.
What are the key properties of N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride?
N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride has a molecular weight of 396.67 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 22140737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).