1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide

C16H17F3N4O — CID 21003576

IUPAC1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)nc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C16H17F3N4O/c1-9-2-3-12-11(8-9)14(22-15(21-12)16(17,18)19)23-6-4-10(5-7-23)13(20)24/h2-3,8,10H,4-7H2,1H3,(H2,20,24)
InChIKeyTXXFFPBYHUVNGK-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.66
Rot. Bonds2

About 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide

1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide (PubChem CID 21003576) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
PubChem CID21003576
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)nc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C16H17F3N4O/c1-9-2-3-12-11(8-9)14(22-15(21-12)16(17,18)19)23-6-4-10(5-7-23)13(20)24/h2-3,8,10H,4-7H2,1H3,(H2,20,24)
InChIKeyTXXFFPBYHUVNGK-UHFFFAOYSA-N
XLogP2.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003589
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003304
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286301
N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide
CID 75460835
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
ethyl 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 56731130
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
CID 7184455

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide (CID 21003576) is 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide is Cc1ccc2nc(C(F)(F)F)nc(N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide?
The InChIKey is TXXFFPBYHUVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-2-3-12-11(8-9)14(22-15(21-12)16(17,18)19)23-6-4-10(5-7-23)13(20)24/h2-3,8,10H,4-7H2,1H3,(H2,20,24).
What are the key properties of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide?
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 21003576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).