4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol

C18H14ClFN2O2 — CID 151080624

IUPAC4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol
SMILESCOc1nc(-c2ccc(F)c(Cl)c2)c2cc(C3CC3)c(O)cc2n1
InChIInChI=1S/C18H14ClFN2O2/c1-24-18-21-15-8-16(23)11(9-2-3-9)7-12(15)17(22-18)10-4-5-14(20)13(19)6-10/h4-9,23H,2-3H2,1H3
InChIKeyMKAUNWBQMKAKPQ-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.68
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol

4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol (PubChem CID 151080624) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol
PubChem CID151080624
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol
SMILESCOc1nc(-c2ccc(F)c(Cl)c2)c2cc(C3CC3)c(O)cc2n1
InChIInChI=1S/C18H14ClFN2O2/c1-24-18-21-15-8-16(23)11(9-2-3-9)7-12(15)17(22-18)10-4-5-14(20)13(19)6-10/h4-9,23H,2-3H2,1H3
InChIKeyMKAUNWBQMKAKPQ-UHFFFAOYSA-N
XLogP4.68
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol (CID 151080624) is 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol is COc1nc(-c2ccc(F)c(Cl)c2)c2cc(C3CC3)c(O)cc2n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol?
The InChIKey is MKAUNWBQMKAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-24-18-21-15-8-16(23)11(9-2-3-9)7-12(15)17(22-18)10-4-5-14(20)13(19)6-10/h4-9,23H,2-3H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol?
4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol has a molecular weight of 344.77 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol is sourced from PubChem (CID 151080624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).