6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one

C30H26F3N3O4 — CID 157103502

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(Cc1ccc(O)cc1)C(F)(F)F)c(=O)n2Cc1ccccn1
InChIInChI=1S/C30H26F3N3O4/c1-17-28(18(2)40-35-17)24-14-20-13-23(25(30(31,32)33)12-19-7-9-22(37)10-8-19)29(38)36(26(20)15-27(24)39-3)16-21-6-4-5-11-34-21/h4-11,13-15,25,37H,12,16H2,1-3H3
InChIKeyAGANUHANOHDDAM-UHFFFAOYSA-N
MW549.55 g/mol
LogP6.32
Rot. Bonds7

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one (PubChem CID 157103502) has the molecular formula C30H26F3N3O4 and a molecular weight of 549.55 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one
PubChem CID157103502
Molecular FormulaC30H26F3N3O4
Molecular Weight549.55 g/mol
Exact Mass549.19
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(Cc1ccc(O)cc1)C(F)(F)F)c(=O)n2Cc1ccccn1
InChIInChI=1S/C30H26F3N3O4/c1-17-28(18(2)40-35-17)24-14-20-13-23(25(30(31,32)33)12-19-7-9-22(37)10-8-19)29(38)36(26(20)15-27(24)39-3)16-21-6-4-5-11-34-21/h4-11,13-15,25,37H,12,16H2,1-3H3
InChIKeyAGANUHANOHDDAM-UHFFFAOYSA-N
XLogP6.32
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.55
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one (CID 157103502) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(C(Cc1ccc(O)cc1)C(F)(F)F)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one?
The InChIKey is AGANUHANOHDDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O4/c1-17-28(18(2)40-35-17)24-14-20-13-23(25(30(31,32)33)12-19-7-9-22(37)10-8-19)29(38)36(26(20)15-27(24)39-3)16-21-6-4-5-11-34-21/h4-11,13-15,25,37H,12,16H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one has a molecular weight of 549.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[1,1,1-trifluoro-3-(4-hydroxyphenyl)propan-2-yl]quinolin-2-one is sourced from PubChem (CID 157103502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).