ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate

C20H23NO5 — CID 29636

IUPACethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O
InChIInChI=1S/C20H23NO5/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22)
InChIKeyJBCLGHRMQCEPFM-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.28
Rot. Bonds8

About ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate

ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 29636) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID29636
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O
InChIInChI=1S/C20H23NO5/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22)
InChIKeyJBCLGHRMQCEPFM-UHFFFAOYSA-N
XLogP3.28
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate (CID 29636) is ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O.
What is the InChIKey of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is JBCLGHRMQCEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22).
What are the key properties of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 29636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).