methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate

C20H11F7N2O4 — CID 151624521

IUPACmethyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(NC(=O)c2ccc(OC(F)F)c3nc(C(F)(F)F)ccc23)c(F)c1
InChIInChI=1S/C20H11F7N2O4/c1-32-18(31)8-6-11(21)16(12(22)7-8)29-17(30)10-2-4-13(33-19(23)24)15-9(10)3-5-14(28-15)20(25,26)27/h2-7,19H,1H3,(H,29,30)
InChIKeyQPEYXUXRUMRCMZ-UHFFFAOYSA-N
MW476.30 g/mol
LogP5.17
Rot. Bonds5

About methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate

methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate (PubChem CID 151624521) has the molecular formula C20H11F7N2O4 and a molecular weight of 476.30 g/mol. Its IUPAC name is methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate
PubChem CID151624521
Molecular FormulaC20H11F7N2O4
Molecular Weight476.30 g/mol
Exact Mass476.06
IUPAC Namemethyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(NC(=O)c2ccc(OC(F)F)c3nc(C(F)(F)F)ccc23)c(F)c1
InChIInChI=1S/C20H11F7N2O4/c1-32-18(31)8-6-11(21)16(12(22)7-8)29-17(30)10-2-4-13(33-19(23)24)15-9(10)3-5-14(28-15)20(25,26)27/h2-7,19H,1H3,(H,29,30)
InChIKeyQPEYXUXRUMRCMZ-UHFFFAOYSA-N
XLogP5.17
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate with MolForge

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Related Compounds

8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
CID 90858088
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
2-[[8-methoxy-2-(trifluoromethyl)quinoline-5-carbothioyl]amino]acetic acid
CID 143627567
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887
N-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 141165278
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate?
The IUPAC name of methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate (CID 151624521) is methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate.
What is the SMILES notation for methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate?
The canonical SMILES for methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate is COC(=O)c1cc(F)c(NC(=O)c2ccc(OC(F)F)c3nc(C(F)(F)F)ccc23)c(F)c1.
What is the InChIKey of methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate?
The InChIKey is QPEYXUXRUMRCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7N2O4/c1-32-18(31)8-6-11(21)16(12(22)7-8)29-17(30)10-2-4-13(33-19(23)24)15-9(10)3-5-14(28-15)20(25,26)27/h2-7,19H,1H3,(H,29,30).
What are the key properties of methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate?
methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate has a molecular weight of 476.30 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate is sourced from PubChem (CID 151624521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).