N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine

C22H24BrFN4O2 — CID 5329054

IUPACN-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCNCC1
InChIInChI=1S/C22H24BrFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-3,10-14,25H,4-9H2,1H3,(H,26,27,28)
InChIKeyZESRALQQFCOMOY-UHFFFAOYSA-N
MW475.36 g/mol
LogP5.05
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine

N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine (PubChem CID 5329054) has the molecular formula C22H24BrFN4O2 and a molecular weight of 475.36 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine
PubChem CID5329054
Molecular FormulaC22H24BrFN4O2
Molecular Weight475.36 g/mol
Exact Mass474.11
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCNCC1
InChIInChI=1S/C22H24BrFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-3,10-14,25H,4-9H2,1H3,(H,26,27,28)
InChIKeyZESRALQQFCOMOY-UHFFFAOYSA-N
XLogP5.05
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine (CID 5329054) is N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is ZESRALQQFCOMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-3,10-14,25H,4-9H2,1H3,(H,26,27,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine?
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-piperidin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 475.36 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 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-(2-piperidin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 5329054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).