1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C22H15F3N2O2 — CID 25022636

IUPAC1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cc(CO)cnc2c1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)18-4-1-15(2-5-18)16-7-8-27(21(29)10-16)19-6-3-17-9-14(13-28)12-26-20(17)11-19/h1-12,28H,13H2
InChIKeyCZKAAUBWVDMNQQ-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.56
Rot. Bonds3

About 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 25022636) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID25022636
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cc(CO)cnc2c1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)18-4-1-15(2-5-18)16-7-8-27(21(29)10-16)19-6-3-17-9-14(13-28)12-26-20(17)11-19/h1-12,28H,13H2
InChIKeyCZKAAUBWVDMNQQ-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022631
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206137
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
1-[4-(2-hydroxypentoxy)-3-methoxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 90731798
1-[1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 162337660
3-(chloromethyl)-7-(trifluoromethyl)quinoline
CID 86719502
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-[(4S)-2-oxa-1-azabicyclo[2.2.1]heptan-5-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 66719139
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 25022636) is 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2cc(CO)cnc2c1.
What is the InChIKey of 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is CZKAAUBWVDMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-22(24,25)18-4-1-15(2-5-18)16-7-8-27(21(29)10-16)19-6-3-17-9-14(13-28)12-26-20(17)11-19/h1-12,28H,13H2.
What are the key properties of 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 396.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 25022636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).