7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one

C14H14F3NO3 — CID 154974776

IUPAC7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)C)cc2cc1OC(F)(F)F
InChIInChI=1S/C14H14F3NO3/c1-7(2)9-4-8-5-12(21-14(15,16)17)11(20-3)6-10(8)18-13(9)19/h4-7H,1-3H3,(H,18,19)
InChIKeyACUDPTXJPLNXHR-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.56
Rot. Bonds3

About 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one

7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one (PubChem CID 154974776) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
PubChem CID154974776
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)C)cc2cc1OC(F)(F)F
InChIInChI=1S/C14H14F3NO3/c1-7(2)9-4-8-5-12(21-14(15,16)17)11(20-3)6-10(8)18-13(9)19/h4-7H,1-3H3,(H,18,19)
InChIKeyACUDPTXJPLNXHR-UHFFFAOYSA-N
XLogP3.56
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
CID 154597526
CID 154597526
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
CID 154591424
3-[(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3187836
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
CID 110675548

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one (CID 154974776) is 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(C(C)C)cc2cc1OC(F)(F)F.
What is the InChIKey of 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one?
The InChIKey is ACUDPTXJPLNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-7(2)9-4-8-5-12(21-14(15,16)17)11(20-3)6-10(8)18-13(9)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one?
7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one has a molecular weight of 301.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 154974776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).