1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C21H13F3N2O — CID 25022631

IUPAC1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cccnc2c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)17-6-3-14(4-7-17)16-9-11-26(20(27)12-16)18-8-5-15-2-1-10-25-19(15)13-18/h1-13H
InChIKeyPAKWOCAJWWOKRD-UHFFFAOYSA-N
MW366.34 g/mol
LogP5.07
Rot. Bonds2

About 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 25022631) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID25022631
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cccnc2c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)17-6-3-14(4-7-17)16-9-11-26(20(27)12-16)18-8-5-15-2-1-10-25-19(15)13-18/h1-13H
InChIKeyPAKWOCAJWWOKRD-UHFFFAOYSA-N
XLogP5.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022636
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206137
7-[5-methyl-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-4-yl]quinoline
CID 154009052
4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one
CID 25022613
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 90395508
4-quinolin-7-ylbenzoic acid
CID 81224662
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
1-[1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 162337660
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 25022631) is 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is PAKWOCAJWWOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)17-6-3-14(4-7-17)16-9-11-26(20(27)12-16)18-8-5-15-2-1-10-25-19(15)13-18/h1-13H.
What are the key properties of 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 366.34 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 25022631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).