methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

C26H22N2O4 — CID 10693708

IUPACmethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-19-14-12-17(13-15-19)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)32-2)18-8-4-3-5-9-18/h3-16,24H,1-2H3,(H,28,29)
InChIKeyOGASWCYTVFRQKE-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.55
Rot. Bonds6

About methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10693708) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10693708
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namemethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-19-14-12-17(13-15-19)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)32-2)18-8-4-3-5-9-18/h3-16,24H,1-2H3,(H,28,29)
InChIKeyOGASWCYTVFRQKE-UHFFFAOYSA-N
XLogP4.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 9891157
methyl N-[(1S)-1-[[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-[(4-methoxyphenyl)methyl]amino]carbamoyl]-2-methyl-propyl]carbamate
CID 461967
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
SB 218795
CID 6604858
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Quinolin-2-Yl)methyl]-L-Tyrosinamide
CID 127021019
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
CID 10320002
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
(3R,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 44446357
(3S,4S)-N-hydroxy-3-(4-((2-methylquinolin-4-yl)methoxy)benzamido)piperidine-4-carboxamide
CID 44446358
methyl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 44455499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10693708) is methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is OGASWCYTVFRQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-19-14-12-17(13-15-19)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)32-2)18-8-4-3-5-9-18/h3-16,24H,1-2H3,(H,28,29).
What are the key properties of methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 426.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10693708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).