N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

C22H25BrN4O2 — CID 22140784

IUPACN-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1ccc(Br)c(Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)c1
InChIInChI=1S/C22H25BrN4O2/c1-27-10-8-15(9-11-27)13-29-20-5-3-4-18-21(20)22(25-14-24-18)26-19-12-16(28-2)6-7-17(19)23/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,24,25,26)
InChIKeyPXEXYFKVVJUKCC-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.87
Rot. Bonds6

About N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (PubChem CID 22140784) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PubChem CID22140784
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC NameN-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1ccc(Br)c(Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)c1
InChIInChI=1S/C22H25BrN4O2/c1-27-10-8-15(9-11-27)13-29-20-5-3-4-18-21(20)22(25-14-24-18)26-19-12-16(28-2)6-7-17(19)23/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,24,25,26)
InChIKeyPXEXYFKVVJUKCC-UHFFFAOYSA-N
XLogP4.87
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (CID 22140784) is N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is COc1ccc(Br)c(Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is PXEXYFKVVJUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c1-27-10-8-15(9-11-27)13-29-20-5-3-4-18-21(20)22(25-14-24-18)26-19-12-16(28-2)6-7-17(19)23/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 457.37 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 22140784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).