1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid

C16H16F3N3O2 — CID 21003589

IUPAC1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESCc1ccc2nc(C(F)(F)F)nc(N3CCCC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H16F3N3O2/c1-9-4-5-12-11(7-9)13(21-15(20-12)16(17,18)19)22-6-2-3-10(8-22)14(23)24/h4-5,7,10H,2-3,6,8H2,1H3,(H,23,24)
InChIKeyFAYQLLLCFVWFNH-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.26
Rot. Bonds2

About 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid

1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid (PubChem CID 21003589) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
PubChem CID21003589
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESCc1ccc2nc(C(F)(F)F)nc(N3CCCC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H16F3N3O2/c1-9-4-5-12-11(7-9)13(21-15(20-12)16(17,18)19)22-6-2-3-10(8-22)14(23)24/h4-5,7,10H,2-3,6,8H2,1H3,(H,23,24)
InChIKeyFAYQLLLCFVWFNH-UHFFFAOYSA-N
XLogP3.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid 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

1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003304
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 21003576
ethyl 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 56731130
1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid
CID 155406462
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
CID 110433500
(3R)-1-[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975965
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid (CID 21003589) is 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid is Cc1ccc2nc(C(F)(F)F)nc(N3CCCC(C(=O)O)C3)c2c1.
What is the InChIKey of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is FAYQLLLCFVWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9-4-5-12-11(7-9)13(21-15(20-12)16(17,18)19)22-6-2-3-10(8-22)14(23)24/h4-5,7,10H,2-3,6,8H2,1H3,(H,23,24).
What are the key properties of 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 3.26, 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-3-carboxylic acid is sourced from PubChem (CID 21003589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).