2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline

C19H17F3N4 — CID 2540547

IUPAC2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
SMILESFC(F)(F)[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)14-6-4-10-26(12-14)18-15-7-1-2-8-16(15)24-17(25-18)13-5-3-9-23-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1
InChIKeyORPOAZNTIGGKQZ-AWEZNQCLSA-N
MW358.37 g/mol
LogP4.47
Rot. Bonds2

About 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline

2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline (PubChem CID 2540547) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
PubChem CID2540547
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
SMILESFC(F)(F)[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)14-6-4-10-26(12-14)18-15-7-1-2-8-16(15)24-17(25-18)13-5-3-9-23-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1
InChIKeyORPOAZNTIGGKQZ-AWEZNQCLSA-N
XLogP4.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
2-(2-chlorophenyl)-4-(2-pyridin-3-ylquinazolin-4-yl)morpholine
CID 133289876
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline (CID 2540547) is 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline is FC(F)(F)[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1.
What is the InChIKey of 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline?
The InChIKey is ORPOAZNTIGGKQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17F3N4/c20-19(21,22)14-6-4-10-26(12-14)18-15-7-1-2-8-16(15)24-17(25-18)13-5-3-9-23-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1.
What are the key properties of 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline?
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline has a molecular weight of 358.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 2540547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).