[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C27H24F3N5O3 — CID 171988085

IUPAC[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2nc(-c3cccnc3)nc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c2cc1OC
InChIInChI=1S/C27H24F3N5O3/c1-37-22-14-20-21(15-23(22)38-2)32-24(18-6-4-8-31-16-18)33-25(20)34-9-11-35(12-10-34)26(36)17-5-3-7-19(13-17)27(28,29)30/h3-8,13-16H,9-12H2,1-2H3
InChIKeyXVJYVFPPODLMDD-UHFFFAOYSA-N
MW523.52 g/mol
LogP4.69
Rot. Bonds5

About [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 171988085) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID171988085
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC Name[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2nc(-c3cccnc3)nc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c2cc1OC
InChIInChI=1S/C27H24F3N5O3/c1-37-22-14-20-21(15-23(22)38-2)32-24(18-6-4-8-31-16-18)33-25(20)34-9-11-35(12-10-34)26(36)17-5-3-7-19(13-17)27(28,29)30/h3-8,13-16H,9-12H2,1-2H3
InChIKeyXVJYVFPPODLMDD-UHFFFAOYSA-N
XLogP4.69
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
[3,5-bis(trifluoromethyl)phenyl]-[4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42666888
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
CID 118733925
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 41116747
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
methyl 2-[6-ethyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
CID 59763730

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 171988085) is [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is COc1cc2nc(-c3cccnc3)nc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XVJYVFPPODLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-37-22-14-20-21(15-23(22)38-2)32-24(18-6-4-8-31-16-18)33-25(20)34-9-11-35(12-10-34)26(36)17-5-3-7-19(13-17)27(28,29)30/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 523.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171988085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).