[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate

C19H18N2O6 — CID 140833877

IUPAC[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cnc3ccccc3c2)O1
InChIInChI=1S/C19H18N2O6/c1-4-25-18(24)21-17-15(26-11(2)22)16(23)19(3,27-17)13-9-12-7-5-6-8-14(12)20-10-13/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyCPMCDMAJWAAWST-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.53
Rot. Bonds4

About [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate

[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate (PubChem CID 140833877) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
PubChem CID140833877
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cnc3ccccc3c2)O1
InChIInChI=1S/C19H18N2O6/c1-4-25-18(24)21-17-15(26-11(2)22)16(23)19(3,27-17)13-9-12-7-5-6-8-14(12)20-10-13/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyCPMCDMAJWAAWST-UHFFFAOYSA-N
XLogP2.53
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate (CID 140833877) is [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate is CCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cnc3ccccc3c2)O1.
What is the InChIKey of [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate?
The InChIKey is CPMCDMAJWAAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-4-25-18(24)21-17-15(26-11(2)22)16(23)19(3,27-17)13-9-12-7-5-6-8-14(12)20-10-13/h5-10H,4H2,1-3H3,(H,21,24).
What are the key properties of [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate?
[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate has a molecular weight of 370.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate is sourced from PubChem (CID 140833877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).