N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine

C22H18BrFN4O2 — CID 118884409

IUPACN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1cccc(C)n1
InChIInChI=1S/C22H18BrFN4O2/c1-13-4-3-5-15(27-13)11-30-21-10-19-16(9-20(21)29-2)22(26-12-25-19)28-18-7-6-14(23)8-17(18)24/h3-10,12H,11H2,1-2H3,(H,25,26,28)
InChIKeyJMYNAASZXZBOQH-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.57
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine

N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine (PubChem CID 118884409) has the molecular formula C22H18BrFN4O2 and a molecular weight of 469.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
PubChem CID118884409
Molecular FormulaC22H18BrFN4O2
Molecular Weight469.31 g/mol
Exact Mass468.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1cccc(C)n1
InChIInChI=1S/C22H18BrFN4O2/c1-13-4-3-5-15(27-13)11-30-21-10-19-16(9-20(21)29-2)22(26-12-25-19)28-18-7-6-14(23)8-17(18)24/h3-10,12H,11H2,1-2H3,(H,25,26,28)
InChIKeyJMYNAASZXZBOQH-UHFFFAOYSA-N
XLogP5.57
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine with MolForge

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Related Compounds

N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-1-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 66608879
4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1-(trihydroxymethyl)piperidine-2,2,3,3,4,5,5,6,6-nonol
CID 91116038
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1,2,4-triazol-1-yl)ethoxy]quinazolin-4-amine;hydrochloride
CID 22625057
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 66874998
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine (CID 118884409) is N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1cccc(C)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine?
The InChIKey is JMYNAASZXZBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN4O2/c1-13-4-3-5-15(27-13)11-30-21-10-19-16(9-20(21)29-2)22(26-12-25-19)28-18-7-6-14(23)8-17(18)24/h3-10,12H,11H2,1-2H3,(H,25,26,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine?
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine has a molecular weight of 469.31 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 118884409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).