5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline

C19H17F3N4O — CID 133446224

IUPAC5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
SMILESCc1cccc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)c12
InChIInChI=1S/C19H17F3N4O/c1-12-3-2-4-15-17(12)18(25-11-24-15)26-8-7-14(10-26)27-16-6-5-13(9-23-16)19(20,21)22/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeySFQQNIGEBNXGHN-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.01
Rot. Bonds3

About 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline

5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline (PubChem CID 133446224) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
PubChem CID133446224
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
SMILESCc1cccc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)c12
InChIInChI=1S/C19H17F3N4O/c1-12-3-2-4-15-17(12)18(25-11-24-15)26-8-7-14(10-26)27-16-6-5-13(9-23-16)19(20,21)22/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeySFQQNIGEBNXGHN-UHFFFAOYSA-N
XLogP4.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline 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

6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
CID 133446315
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133446138
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
5-(2-methylphenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile
CID 170313355
[4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
CID 156814470
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline?
The IUPAC name of 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline (CID 133446224) is 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline is Cc1cccc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)c12.
What is the InChIKey of 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline?
The InChIKey is SFQQNIGEBNXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-3-2-4-15-17(12)18(25-11-24-15)26-8-7-14(10-26)27-16-6-5-13(9-23-16)19(20,21)22/h2-6,9,11,14H,7-8,10H2,1H3.
What are the key properties of 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline?
5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline has a molecular weight of 374.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 133446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).