6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one

C27H18ClF3N2O2S — CID 118323968

IUPAC6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cc2ccc(OC(F)(F)F)cc2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
InChIInChI=1S/C27H18ClF3N2O2S/c28-20-6-3-17(4-7-20)25(26-32-11-12-36-26)18-5-10-23-22(14-18)19(15-24(34)33-23)13-16-1-8-21(9-2-16)35-27(29,30)31/h1-12,14-15,25H,13H2,(H,33,34)
InChIKeyWJTAKJCKVXTWDS-UHFFFAOYSA-N
MW526.97 g/mol
LogP7.31
Rot. Bonds6

About 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one

6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one (PubChem CID 118323968) has the molecular formula C27H18ClF3N2O2S and a molecular weight of 526.97 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
PubChem CID118323968
Molecular FormulaC27H18ClF3N2O2S
Molecular Weight526.97 g/mol
Exact Mass526.07
IUPAC Name6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cc2ccc(OC(F)(F)F)cc2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
InChIInChI=1S/C27H18ClF3N2O2S/c28-20-6-3-17(4-7-20)25(26-32-11-12-36-26)18-5-10-23-22(14-18)19(15-24(34)33-23)13-16-1-8-21(9-2-16)35-27(29,30)31/h1-12,14-15,25H,13H2,(H,33,34)
InChIKeyWJTAKJCKVXTWDS-UHFFFAOYSA-N
XLogP7.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.97
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-(azetidin-3-ylmethylamino)-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1H-quinolin-2-one
CID 118324109
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 118324034
4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
CID 118324008
4-benzyl-6-chloro-1H-quinolin-2-one
CID 175815092
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61331512
6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
CID 123443564
2-[(4-chlorophenyl)-(3-methylbenzotriazol-5-yl)methyl]-1,3-thiazole
CID 15940782
2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
CID 118324045
6-[bis(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1H-quinolin-2-one
CID 118329978
1-[4-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]ethane-1,2-diol
CID 143847487
2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616267
6-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 118323989

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one (CID 118323968) is 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one is O=c1cc(Cc2ccc(OC(F)(F)F)cc2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1.
What is the InChIKey of 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one?
The InChIKey is WJTAKJCKVXTWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF3N2O2S/c28-20-6-3-17(4-7-20)25(26-32-11-12-36-26)18-5-10-23-22(14-18)19(15-24(34)33-23)13-16-1-8-21(9-2-16)35-27(29,30)31/h1-12,14-15,25H,13H2,(H,33,34).
What are the key properties of 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one?
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one has a molecular weight of 526.97 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118323968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).