N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine

C17H16BrN3O3 — CID 5328228

IUPACN-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC
InChIInChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyMMRJGOKRGZAQNE-UHFFFAOYSA-N
MW390.24 g/mol
LogP4.16
Rot. Bonds5

About N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine

N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine (PubChem CID 5328228) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine
PubChem CID5328228
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC
InChIInChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyMMRJGOKRGZAQNE-UHFFFAOYSA-N
XLogP4.16
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine (CID 5328228) is N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC.
What is the InChIKey of N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine?
The InChIKey is MMRJGOKRGZAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine?
N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine has a molecular weight of 390.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 5328228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).