methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate

C23H21ClN2O4 — CID 53113645

IUPACmethyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)C3CCC3)cc12
InChIInChI=1S/C23H21ClN2O4/c1-29-22(27)13-30-21-12-20(14-5-7-16(24)8-6-14)26-19-10-9-17(11-18(19)21)25-23(28)15-3-2-4-15/h5-12,15H,2-4,13H2,1H3,(H,25,28)
InChIKeyVZZCSAANWGOWJD-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.85
Rot. Bonds6

About methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate

methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate (PubChem CID 53113645) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
PubChem CID53113645
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Namemethyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)C3CCC3)cc12
InChIInChI=1S/C23H21ClN2O4/c1-29-22(27)13-30-21-12-20(14-5-7-16(24)8-6-14)26-19-10-9-17(11-18(19)21)25-23(28)15-3-2-4-15/h5-12,15H,2-4,13H2,1H3,(H,25,28)
InChIKeyVZZCSAANWGOWJD-UHFFFAOYSA-N
XLogP4.85
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
CID 53113631
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
methyl 3-[[2-(4-chlorophenyl)-4-ethoxyquinolin-6-yl]carbamoylamino]thiophene-2-carboxylate
CID 50827679
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate (CID 53113645) is methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)C3CCC3)cc12.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate?
The InChIKey is VZZCSAANWGOWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-29-22(27)13-30-21-12-20(14-5-7-16(24)8-6-14)26-19-10-9-17(11-18(19)21)25-23(28)15-3-2-4-15/h5-12,15H,2-4,13H2,1H3,(H,25,28).
What are the key properties of methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate?
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate has a molecular weight of 424.88 g/mol, XLogP of 4.85, 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-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).