4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline

C20H19F3N4 — CID 99791628

IUPAC4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCC1(C)[C@H](C(F)(F)F)CCN1c1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H19F3N4/c1-19(2)16(20(21,22)23)9-12-27(19)18-14-5-3-4-6-15(14)25-17(26-18)13-7-10-24-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1
InChIKeyABBHSJHNNXOBKU-MRXNPFEDSA-N
MW372.39 g/mol
LogP4.86
Rot. Bonds2

About 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline

4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 99791628) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID99791628
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCC1(C)[C@H](C(F)(F)F)CCN1c1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H19F3N4/c1-19(2)16(20(21,22)23)9-12-27(19)18-14-5-3-4-6-15(14)25-17(26-18)13-7-10-24-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1
InChIKeyABBHSJHNNXOBKU-MRXNPFEDSA-N
XLogP4.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133315668
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline (CID 99791628) is 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline is CC1(C)[C@H](C(F)(F)F)CCN1c1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is ABBHSJHNNXOBKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-19(2)16(20(21,22)23)9-12-27(19)18-14-5-3-4-6-15(14)25-17(26-18)13-7-10-24-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline?
4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 372.39 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 99791628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).