(quinolin-3-ylamino) furan-2-carboxylate

C14H10N2O3 — CID 45105879

IUPAC(quinolin-3-ylamino) furan-2-carboxylate
SMILESO=C(ONc1cnc2ccccc2c1)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-14(13-6-3-7-18-13)19-16-11-8-10-4-1-2-5-12(10)15-9-11/h1-9,16H
InChIKeyACIULNSCFFILPY-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.01
Rot. Bonds3

About (quinolin-3-ylamino) furan-2-carboxylate

(quinolin-3-ylamino) furan-2-carboxylate (PubChem CID 45105879) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (quinolin-3-ylamino) furan-2-carboxylate.

Molecular Properties

Compound Name(quinolin-3-ylamino) furan-2-carboxylate
PubChem CID45105879
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(quinolin-3-ylamino) furan-2-carboxylate
SMILESO=C(ONc1cnc2ccccc2c1)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-14(13-6-3-7-18-13)19-16-11-8-10-4-1-2-5-12(10)15-9-11/h1-9,16H
InChIKeyACIULNSCFFILPY-UHFFFAOYSA-N
XLogP3.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (quinolin-3-ylamino) furan-2-carboxylate?
The IUPAC name of (quinolin-3-ylamino) furan-2-carboxylate (CID 45105879) is (quinolin-3-ylamino) furan-2-carboxylate.
What is the SMILES notation for (quinolin-3-ylamino) furan-2-carboxylate?
The canonical SMILES for (quinolin-3-ylamino) furan-2-carboxylate is O=C(ONc1cnc2ccccc2c1)c1ccco1.
What is the InChIKey of (quinolin-3-ylamino) furan-2-carboxylate?
The InChIKey is ACIULNSCFFILPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(13-6-3-7-18-13)19-16-11-8-10-4-1-2-5-12(10)15-9-11/h1-9,16H.
What are the key properties of (quinolin-3-ylamino) furan-2-carboxylate?
(quinolin-3-ylamino) furan-2-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (quinolin-3-ylamino) furan-2-carboxylate is sourced from PubChem (CID 45105879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).