5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one

C30H28ClF3N2O4 — CID 69015445

IUPAC5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one
SMILESCOc1ccc(-n2c(=O)ccc3c(NC4c5ccc(Cl)c(OC)c5C(C)(C)CC4(O)C(F)(F)F)cccc32)cc1
InChIInChI=1S/C30H28ClF3N2O4/c1-28(2)16-29(38,30(32,33)34)27(20-12-14-21(31)26(40-4)25(20)28)35-22-6-5-7-23-19(22)13-15-24(37)36(23)17-8-10-18(39-3)11-9-17/h5-15,27,35,38H,16H2,1-4H3
InChIKeyLGUOXSTWNVPVNP-UHFFFAOYSA-N
MW573.01 g/mol
LogP6.79
Rot. Bonds5

About 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one

5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one (PubChem CID 69015445) has the molecular formula C30H28ClF3N2O4 and a molecular weight of 573.01 g/mol. Its IUPAC name is 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one.

Molecular Properties

Compound Name5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one
PubChem CID69015445
Molecular FormulaC30H28ClF3N2O4
Molecular Weight573.01 g/mol
Exact Mass572.17
IUPAC Name5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one
SMILESCOc1ccc(-n2c(=O)ccc3c(NC4c5ccc(Cl)c(OC)c5C(C)(C)CC4(O)C(F)(F)F)cccc32)cc1
InChIInChI=1S/C30H28ClF3N2O4/c1-28(2)16-29(38,30(32,33)34)27(20-12-14-21(31)26(40-4)25(20)28)35-22-6-5-7-23-19(22)13-15-24(37)36(23)17-8-10-18(39-3)11-9-17/h5-15,27,35,38H,16H2,1-4H3
InChIKeyLGUOXSTWNVPVNP-UHFFFAOYSA-N
XLogP6.79
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.01
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one with MolForge

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Related Compounds

5-[[2-(fluoromethyl)-2-hydroxy-4,4,5-trimethyl-1,3-dihydronaphthalen-1-yl]amino]-1-(4-fluorophenyl)quinolin-2-one
CID 71001479
5-[[6-chloro-2-(fluoromethyl)-2,5-dihydroxy-4,4-dimethyl-1,3-dihydronaphthalen-1-yl]amino]-1-(3-chlorophenyl)quinolin-2-one
CID 89178464
5-[[6-chloro-2-hydroxy-5-methoxy-4,4,7-trimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-2H-isoquinolin-1-one
CID 66657326
3-chloro-2-fluoro-5-[(5-hydroxynaphthalen-1-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
CID 87093045
5-[[7-chloro-2,5-dihydroxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one
CID 86600755
6-chloro-1-[(8-fluoro-2-methylquinazolin-5-yl)amino]-5-methoxy-2-(trifluoromethyl)spiro[1,3-dihydronaphthalene-4,1'-cyclopropane]-2-ol
CID 68679217
N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide
CID 58893238
5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one
CID 66657386
(1S,2R)-1-[(7,8-difluoro-2-methylquinazolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 87539105
6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 91501634
6-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]-9,9-dimethyl-7-(trifluoromethyl)-6,8-dihydrobenzo[g][1,3]benzodioxol-7-ol
CID 24946620
4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
CID 68681232

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one?
The IUPAC name of 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one (CID 69015445) is 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one.
What is the SMILES notation for 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one?
The canonical SMILES for 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one is COc1ccc(-n2c(=O)ccc3c(NC4c5ccc(Cl)c(OC)c5C(C)(C)CC4(O)C(F)(F)F)cccc32)cc1.
What is the InChIKey of 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one?
The InChIKey is LGUOXSTWNVPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N2O4/c1-28(2)16-29(38,30(32,33)34)27(20-12-14-21(31)26(40-4)25(20)28)35-22-6-5-7-23-19(22)13-15-24(37)36(23)17-8-10-18(39-3)11-9-17/h5-15,27,35,38H,16H2,1-4H3.
What are the key properties of 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one?
5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one has a molecular weight of 573.01 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one is sourced from PubChem (CID 69015445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).