[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C22H20F3N3O3 — CID 139466415

IUPAC[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1ccc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)ncnc2c1
InChIInChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
InChIKeyQLZFVKUNRWLYPC-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.56
Rot. Bonds4

About [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 139466415) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID139466415
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1ccc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)ncnc2c1
InChIInChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
InChIKeyQLZFVKUNRWLYPC-UHFFFAOYSA-N
XLogP4.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 139466415) is [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is COc1ccc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)ncnc2c1.
What is the InChIKey of [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is QLZFVKUNRWLYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 431.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 139466415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).