ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate

C20H16F2N2O3 — CID 132600265

IUPACethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(NC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C20H16F2N2O3/c1-2-27-19(26)20(21,22)15-10-11-16(17-14(15)9-6-12-23-17)24-18(25)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,24,25)
InChIKeyQJSQUQYZOAJCKA-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.14
Rot. Bonds5

About ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate

ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate (PubChem CID 132600265) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
PubChem CID132600265
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Nameethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(NC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C20H16F2N2O3/c1-2-27-19(26)20(21,22)15-10-11-16(17-14(15)9-6-12-23-17)24-18(25)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,24,25)
InChIKeyQJSQUQYZOAJCKA-UHFFFAOYSA-N
XLogP4.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
CID 134850051
N-(5-phenylselanylquinolin-8-yl)benzamide
CID 132548337
N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
CID 132603204
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
CID 126187586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate (CID 132600265) is ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(NC(=O)c2ccccc2)c2ncccc12.
What is the InChIKey of ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate?
The InChIKey is QJSQUQYZOAJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-2-27-19(26)20(21,22)15-10-11-16(17-14(15)9-6-12-23-17)24-18(25)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,24,25).
What are the key properties of ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate?
ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate has a molecular weight of 370.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 132600265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).