N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine

C21H23BrN4O3 — CID 118710445

IUPACN-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(C)CCO1
InChIInChI=1S/C21H23BrN4O3/c1-26-7-8-28-16(11-26)12-29-20-10-18-17(9-19(20)27-2)21(24-13-23-18)25-15-5-3-14(22)4-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3,(H,23,24,25)
InChIKeyQBXWBUHDMYPTFZ-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.85
Rot. Bonds6

About N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine

N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine (PubChem CID 118710445) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine
PubChem CID118710445
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC NameN-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(C)CCO1
InChIInChI=1S/C21H23BrN4O3/c1-26-7-8-28-16(11-26)12-29-20-10-18-17(9-19(20)27-2)21(24-13-23-18)25-15-5-3-14(22)4-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3,(H,23,24,25)
InChIKeyQBXWBUHDMYPTFZ-UHFFFAOYSA-N
XLogP3.85
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine (CID 118710445) is N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(C)CCO1.
What is the InChIKey of N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine?
The InChIKey is QBXWBUHDMYPTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-26-7-8-28-16(11-26)12-29-20-10-18-17(9-19(20)27-2)21(24-13-23-18)25-15-5-3-14(22)4-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine?
N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine has a molecular weight of 459.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-methoxy-7-[(4-methylmorpholin-2-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 118710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).