N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine

C27H27BrN4O2 — CID 68885074

IUPACN-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
SMILESCN1CCC(Oc2cc(OCc3ccccc3)cc3ncnc(Nc4cccc(Br)c4)c23)CC1
InChIInChI=1S/C27H27BrN4O2/c1-32-12-10-22(11-13-32)34-25-16-23(33-17-19-6-3-2-4-7-19)15-24-26(25)27(30-18-29-24)31-21-9-5-8-20(28)14-21/h2-9,14-16,18,22H,10-13,17H2,1H3,(H,29,30,31)
InChIKeyUAOGZKMHMGIUMZ-UHFFFAOYSA-N
MW519.44 g/mol
LogP6.19
Rot. Bonds7

About N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine

N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine (PubChem CID 68885074) has the molecular formula C27H27BrN4O2 and a molecular weight of 519.44 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
PubChem CID68885074
Molecular FormulaC27H27BrN4O2
Molecular Weight519.44 g/mol
Exact Mass518.13
IUPAC NameN-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
SMILESCN1CCC(Oc2cc(OCc3ccccc3)cc3ncnc(Nc4cccc(Br)c4)c23)CC1
InChIInChI=1S/C27H27BrN4O2/c1-32-12-10-22(11-13-32)34-25-16-23(33-17-19-6-3-2-4-7-19)15-24-26(25)27(30-18-29-24)31-21-9-5-8-20(28)14-21/h2-9,14-16,18,22H,10-13,17H2,1H3,(H,29,30,31)
InChIKeyUAOGZKMHMGIUMZ-UHFFFAOYSA-N
XLogP6.19
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
CID 68885046
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
CID 68887058
7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68955817
7-(2-methoxyethoxy)-N-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68891341
N-[4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 10163319
N-(3-bromophenyl)-7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
CID 68886818
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(2-methoxyethoxy)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68885707
N-[4-[(2-fluorophenyl)methoxy]-3-methylphenyl]-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68887849
N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
CID 68882984
tert-butyl 4-[[4-(3-chloroanilino)-5-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 68885631
2-[2-[4-(3-chloro-4-fluoroanilino)-5-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]oxyethyl-methylamino]ethanol
CID 68891336
N-(5-chloronaphthalen-1-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140771

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine (CID 68885074) is N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine is CN1CCC(Oc2cc(OCc3ccccc3)cc3ncnc(Nc4cccc(Br)c4)c23)CC1.
What is the InChIKey of N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine?
The InChIKey is UAOGZKMHMGIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN4O2/c1-32-12-10-22(11-13-32)34-25-16-23(33-17-19-6-3-2-4-7-19)15-24-26(25)27(30-18-29-24)31-21-9-5-8-20(28)14-21/h2-9,14-16,18,22H,10-13,17H2,1H3,(H,29,30,31).
What are the key properties of N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine?
N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine has a molecular weight of 519.44 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine is sourced from PubChem (CID 68885074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).