2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide

C19H17ClF2N2O4 — CID 55671413

IUPAC2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H17ClF2N2O4/c1-27-16-6-10(5-13(20)18(16)28-9-17(23)25)19(26)24-4-2-3-12-14(22)7-11(21)8-15(12)24/h5-8H,2-4,9H2,1H3,(H2,23,25)
InChIKeyLRGJBQWWQGHWSJ-UHFFFAOYSA-N
MW410.80 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide

2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide (PubChem CID 55671413) has the molecular formula C19H17ClF2N2O4 and a molecular weight of 410.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
PubChem CID55671413
Molecular FormulaC19H17ClF2N2O4
Molecular Weight410.80 g/mol
Exact Mass410.08
IUPAC Name2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H17ClF2N2O4/c1-27-16-6-10(5-13(20)18(16)28-9-17(23)25)19(26)24-4-2-3-12-14(22)7-11(21)8-15(12)24/h5-8H,2-4,9H2,1H3,(H2,23,25)
InChIKeyLRGJBQWWQGHWSJ-UHFFFAOYSA-N
XLogP3.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-6-methoxy-4-(6-methyl-2,3-dihydroindole-1-carbonyl)phenoxy]acetamide
CID 86873010
2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
CID 34822497
2-[2-chloro-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxyphenoxy]acetamide
CID 86954629
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
prop-2-ynyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 47139600
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256331
2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
CID 119651087
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 131264590
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780
2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
CID 119125753

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide (CID 55671413) is 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide?
The InChIKey is LRGJBQWWQGHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O4/c1-27-16-6-10(5-13(20)18(16)28-9-17(23)25)19(26)24-4-2-3-12-14(22)7-11(21)8-15(12)24/h5-8H,2-4,9H2,1H3,(H2,23,25).
What are the key properties of 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide has a molecular weight of 410.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 55671413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).