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

C25H19ClN2O3 — CID 10717542

IUPACmethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H19ClN2O3/c1-31-25(30)23(17-7-3-2-4-8-17)28-24(29)20-15-22(16-11-13-18(26)14-12-16)27-21-10-6-5-9-19(20)21/h2-15,23H,1H3,(H,28,29)
InChIKeyZSDYIUVQNWIAIS-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.20
Rot. Bonds5

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

methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10717542) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10717542
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H19ClN2O3/c1-31-25(30)23(17-7-3-2-4-8-17)28-24(29)20-15-22(16-11-13-18(26)14-12-16)27-21-10-6-5-9-19(20)21/h2-15,23H,1H3,(H,28,29)
InChIKeyZSDYIUVQNWIAIS-UHFFFAOYSA-N
XLogP5.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB 218795
CID 6604858
N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine
CID 10052832
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-difluorophenyl)formamido]propanoic acid
CID 10391292
2-{[1-(4-Chlorophenyl)cyclopentyl]formamido}-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 10393176
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-dimethylphenyl)formamido]propanoic acid
CID 10435784
3-[2-(2-Chloro-6-fluorophenyl)quinolin-6-yl]-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 10436625
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,4-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 23647525
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-difluorophenyl)quinolin-6-yl]propanoic acid
CID 23647526
3-{2-[2-Chloro-5-(trifluoromethyl)phenyl]quinolin-6-yl}-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 23647534
2-[(2,6-Dichlorophenyl)formamido]-3-{2-[2-(trifluoromethyl)phenyl]quinolin-6-yl}propanoic acid
CID 9984573
2-[(2-Chloro-6-methylphenyl)formamido]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 10436492
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-dimethylphenyl)quinolin-6-yl]propanoic acid
CID 23647527

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10717542) is methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is ZSDYIUVQNWIAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3/c1-31-25(30)23(17-7-3-2-4-8-17)28-24(29)20-15-22(16-11-13-18(26)14-12-16)27-21-10-6-5-9-19(20)21/h2-15,23H,1H3,(H,28,29).
What are the key properties of methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 430.89 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10717542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).