[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C23H22F3N3O5 — CID 162748618

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2ncnc(C3(O)CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC
InChIInChI=1S/C23H22F3N3O5/c1-32-18-11-16-17(12-19(18)33-2)27-13-28-20(16)22(31)7-9-29(10-8-22)21(30)14-3-5-15(6-4-14)34-23(24,25)26/h3-6,11-13,31H,7-10H2,1-2H3
InChIKeyHDTHOHRRWPMUJW-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.67
Rot. Bonds5

About [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 162748618) has the molecular formula C23H22F3N3O5 and a molecular weight of 477.44 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID162748618
Molecular FormulaC23H22F3N3O5
Molecular Weight477.44 g/mol
Exact Mass477.15
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2ncnc(C3(O)CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC
InChIInChI=1S/C23H22F3N3O5/c1-32-18-11-16-17(12-19(18)33-2)27-13-28-20(16)22(31)7-9-29(10-8-22)21(30)14-3-5-15(6-4-14)34-23(24,25)26/h3-6,11-13,31H,7-10H2,1-2H3
InChIKeyHDTHOHRRWPMUJW-UHFFFAOYSA-N
XLogP3.67
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

(4-chloro-2-fluorophenyl)-[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxyazepan-1-yl]methanone
CID 162748431
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
[4-(6-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466772
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 139466459
[4-(7-methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466461
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane
CID 158926816
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
N-methyl-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]quinazoline-7-carboxamide
CID 139466585
methyl 4-[1-[4-(trifluoromethoxy)benzoyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylate
CID 139466640
[4-(6-methoxypyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 155766429
[4-(7-methoxyquinolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139473480

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 162748618) is [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is COc1cc2ncnc(C3(O)CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HDTHOHRRWPMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O5/c1-32-18-11-16-17(12-19(18)33-2)27-13-28-20(16)22(31)7-9-29(10-8-22)21(30)14-3-5-15(6-4-14)34-23(24,25)26/h3-6,11-13,31H,7-10H2,1-2H3.
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 477.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 162748618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).