4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine

C18H14ClF2N3O — CID 175076903

IUPAC4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
SMILESFc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12
InChIInChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2
InChIKeyAQMNKURRSDHCNA-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine

4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine (PubChem CID 175076903) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
PubChem CID175076903
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
SMILESFc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12
InChIInChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2
InChIKeyAQMNKURRSDHCNA-UHFFFAOYSA-N
XLogP4.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine (CID 175076903) is 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine is Fc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The InChIKey is AQMNKURRSDHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2.
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine has a molecular weight of 361.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine is sourced from PubChem (CID 175076903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).