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

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
CID 22140737
4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide
CID 152679693
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
N-(5-chloronaphthalen-1-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140771
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-(3H-1,2-benzodioxol-7-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140758
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
tert-butyl 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxymethyl]piperidine-1-carboxylate
CID 11974448

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).