7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C30H26F3N3O4S — CID 159492470

IUPAC7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)NC(=O)CC2.O=C1CCc2ccc(O)cc2N1
InChIInChI=1S/C21H17F3N2O2S.C9H9NO2/c1-12-18(11-28-16-8-4-13-5-9-19(27)26-17(13)10-16)29-20(25-12)14-2-6-15(7-3-14)21(22,23)24;11-7-3-1-6-2-4-9(12)10-8(6)5-7/h2-4,6-8,10H,5,9,11H2,1H3,(H,26,27);1,3,5,11H,2,4H2,(H,10,12)
InChIKeyLYJDTTBYACZUHJ-UHFFFAOYSA-N
MW581.62 g/mol
LogP6.88
Rot. Bonds4

About 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 159492470) has the molecular formula C30H26F3N3O4S and a molecular weight of 581.62 g/mol. Its IUPAC name is 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID159492470
Molecular FormulaC30H26F3N3O4S
Molecular Weight581.62 g/mol
Exact Mass581.16
IUPAC Name7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)NC(=O)CC2.O=C1CCc2ccc(O)cc2N1
InChIInChI=1S/C21H17F3N2O2S.C9H9NO2/c1-12-18(11-28-16-8-4-13-5-9-19(27)26-17(13)10-16)29-20(25-12)14-2-6-15(7-3-14)21(22,23)24;11-7-3-1-6-2-4-9(12)10-8(6)5-7/h2-4,6-8,10H,5,9,11H2,1H3,(H,26,27);1,3,5,11H,2,4H2,(H,10,12)
InChIKeyLYJDTTBYACZUHJ-UHFFFAOYSA-N
XLogP6.88
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.62
LogP ≤ 56.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 10344905
(E)-4-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]but-3-en-2-one
CID 20720987
4-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]butan-2-one
CID 20720988
N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine
CID 162577797
2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-isoindol-1-yl]acetic acid
CID 58942901
2,2-dideuterio-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 155517891
3-methyl-3-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]butan-2-one
CID 23549134
ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate
CID 157267984
(2-ethoxy-2-oxoethyl) 2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indole-3-carboxylate
CID 10174830
3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoic acid
CID 10238968
3-[2-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]benzoic acid
CID 23122311
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 159492470) is 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)NC(=O)CC2.O=C1CCc2ccc(O)cc2N1.
What is the InChIKey of 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LYJDTTBYACZUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2S.C9H9NO2/c1-12-18(11-28-16-8-4-13-5-9-19(27)26-17(13)10-16)29-20(25-12)14-2-6-15(7-3-14)21(22,23)24;11-7-3-1-6-2-4-9(12)10-8(6)5-7/h2-4,6-8,10H,5,9,11H2,1H3,(H,26,27);1,3,5,11H,2,4H2,(H,10,12).
What are the key properties of 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 581.62 g/mol, XLogP of 6.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dihydro-1H-quinolin-2-one;7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159492470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).