methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate

C25H19ClN2O4 — CID 53113511

IUPACmethyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H19ClN2O4/c1-31-24(29)15-32-23-14-22(16-7-3-2-4-8-16)28-21-12-11-17(13-19(21)23)27-25(30)18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,30)
InChIKeyLFUUCKCDKBCTOJ-UHFFFAOYSA-N
MW446.89 g/mol
LogP5.36
Rot. Bonds6

About methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate

methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate (PubChem CID 53113511) has the molecular formula C25H19ClN2O4 and a molecular weight of 446.89 g/mol. Its IUPAC name is methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
PubChem CID53113511
Molecular FormulaC25H19ClN2O4
Molecular Weight446.89 g/mol
Exact Mass446.10
IUPAC Namemethyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H19ClN2O4/c1-31-24(29)15-32-23-14-22(16-7-3-2-4-8-16)28-21-12-11-17(13-19(21)23)27-25(30)18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,30)
InChIKeyLFUUCKCDKBCTOJ-UHFFFAOYSA-N
XLogP5.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.89
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
CID 53113645
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate (CID 53113511) is methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3Cl)cc12.
What is the InChIKey of methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate?
The InChIKey is LFUUCKCDKBCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4/c1-31-24(29)15-32-23-14-22(16-7-3-2-4-8-16)28-21-12-11-17(13-19(21)23)27-25(30)18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,30).
What are the key properties of methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate?
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate has a molecular weight of 446.89 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).