methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate

C16H17NO5 — CID 67265186

IUPACmethyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(COc2cc3[nH]ccc(=O)c3cc2OC)CC1
InChIInChI=1S/C16H17NO5/c1-20-13-7-10-11(17-6-3-12(10)18)8-14(13)22-9-16(4-5-16)15(19)21-2/h3,6-8H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyPZUKPOUQPFDJKF-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.87
Rot. Bonds5

About methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate

methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate (PubChem CID 67265186) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
PubChem CID67265186
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(COc2cc3[nH]ccc(=O)c3cc2OC)CC1
InChIInChI=1S/C16H17NO5/c1-20-13-7-10-11(17-6-3-12(10)18)8-14(13)22-9-16(4-5-16)15(19)21-2/h3,6-8H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyPZUKPOUQPFDJKF-UHFFFAOYSA-N
XLogP1.87
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate (CID 67265186) is methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate is COC(=O)C1(COc2cc3[nH]ccc(=O)c3cc2OC)CC1.
What is the InChIKey of methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate?
The InChIKey is PZUKPOUQPFDJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-13-7-10-11(17-6-3-12(10)18)8-14(13)22-9-16(4-5-16)15(19)21-2/h3,6-8H,4-5,9H2,1-2H3,(H,17,18).
What are the key properties of methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate?
methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67265186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).