methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate

C25H26N2O6 — CID 10575540

IUPACmethyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1
InChIInChI=1S/C25H26N2O6/c1-31-23-13-16(24(29)32-2)7-8-17(23)15-27-12-11-22(28)20-10-9-18(14-21(20)27)26-25(30)33-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,26,30)
InChIKeyZTEXXJNDYLXTKC-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.34
Rot. Bonds6

About methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate

methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate (PubChem CID 10575540) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate
PubChem CID10575540
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Namemethyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1
InChIInChI=1S/C25H26N2O6/c1-31-23-13-16(24(29)32-2)7-8-17(23)15-27-12-11-22(28)20-10-9-18(14-21(20)27)26-25(30)33-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,26,30)
InChIKeyZTEXXJNDYLXTKC-UHFFFAOYSA-N
XLogP4.34
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate with MolForge

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Related Compounds

methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-(2-methoxyethyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365888
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-(3-methylbutyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365903
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-[(4-fluorophenyl)carbamoyl]indol-3-yl]methyl]-3-methoxybenzoate
CID 54525687
methyl 4-[[6-(cyclopentyloxycarbonylamino)-2H-benzotriazol-4-yl]methyl]-3-methoxybenzoate
CID 54561072
sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride
CID 173223115
4-[[5-(cyclopentyloxycarbonylamino)-1-(dimethylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid
CID 54523791
methyl 4-[[6-(hexanoylamino)indol-1-yl]methyl]-3-methoxybenzoate
CID 14708767
methyl 4-[[6-[2-(cyclopentylmethylamino)-2-oxoethyl]indol-1-yl]methyl]-3-methoxybenzoate
CID 14882505
diphenylcarbamoyl 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoate
CID 86743327
4-[(6-acetamidoindol-1-yl)methyl]-3-methoxybenzoic acid
CID 14708686
3-[4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxyphenyl]-3-oxo-2-phenylsulfanylpropanoic acid
CID 67745389
methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate
CID 67735074

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate (CID 10575540) is methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate is COC(=O)c1ccc(Cn2ccc(=O)c3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1.
What is the InChIKey of methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate?
The InChIKey is ZTEXXJNDYLXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-31-23-13-16(24(29)32-2)7-8-17(23)15-27-12-11-22(28)20-10-9-18(14-21(20)27)26-25(30)33-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,26,30).
What are the key properties of methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate?
methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate has a molecular weight of 450.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate is sourced from PubChem (CID 10575540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).