1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione

C26H23F3N4O2 — CID 177016228

IUPAC1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3ccc(C4=CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3c2)C(=O)N1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)21-4-1-17(2-5-21)16-32-10-7-18(8-11-32)19-3-6-23-20(13-19)14-22(15-30-23)33-12-9-24(34)31-25(33)35/h1-7,13-15H,8-12,16H2,(H,31,34,35)
InChIKeyPWMFWVWGNQMMLW-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.99
Rot. Bonds4

About 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione

1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177016228) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177016228
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3ccc(C4=CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3c2)C(=O)N1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)21-4-1-17(2-5-21)16-32-10-7-18(8-11-32)19-3-6-23-20(13-19)14-22(15-30-23)33-12-9-24(34)31-25(33)35/h1-7,13-15H,8-12,16H2,(H,31,34,35)
InChIKeyPWMFWVWGNQMMLW-UHFFFAOYSA-N
XLogP4.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione
CID 177017422
3-[6-[2-[[4-(trifluoromethyl)phenyl]methyl]-2-azaspiro[5.5]undec-4-en-5-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017050
1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177017566
1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
CID 177017318
3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016029
1-[5-fluoro-6-[3-hydroxy-3-methyl-1-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177015954
3-[6-[8-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octan-8-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017213
1-[5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethyl-1-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016097
1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-[[4-(1,2-oxazol-3-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177015922
[[[5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-ethylcarbamoyl]amino]methylidenecobalt
CID 177017386
6-(quinolin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861289
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione (CID 177016228) is 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cnc3ccc(C4=CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3c2)C(=O)N1.
What is the InChIKey of 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is PWMFWVWGNQMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-26(28,29)21-4-1-17(2-5-21)16-32-10-7-18(8-11-32)19-3-6-23-20(13-19)14-22(15-30-23)33-12-9-24(34)31-25(33)35/h1-7,13-15H,8-12,16H2,(H,31,34,35).
What are the key properties of 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 480.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177016228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).