6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C18H18BrN3O — CID 67598337

IUPAC6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C18H18BrN3O/c1-23-11-14-5-3-2-4-13(14)8-9-20-18-16-10-15(19)6-7-17(16)21-12-22-18/h2-7,10,12H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyBCCIMDDGXOVDJN-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.19
Rot. Bonds6

About 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67598337) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67598337
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C18H18BrN3O/c1-23-11-14-5-3-2-4-13(14)8-9-20-18-16-10-15(19)6-7-17(16)21-12-22-18/h2-7,10,12H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyBCCIMDDGXOVDJN-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67598337) is 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1ccccc1CCNc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is BCCIMDDGXOVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-23-11-14-5-3-2-4-13(14)8-9-20-18-16-10-15(19)6-7-17(16)21-12-22-18/h2-7,10,12H,8-9,11H2,1H3,(H,20,21,22).
What are the key properties of 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 372.27 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67598337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).