N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C16H14N2O4 — CID 110324868

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CNC(=O)c3ccco3)cc2c1
InChIInChI=1S/C16H14N2O4/c1-21-12-4-5-13-10(8-12)7-11(15(19)18-13)9-17-16(20)14-3-2-6-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyNATBIDCFGDXZKZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.06
Rot. Bonds4

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 110324868) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID110324868
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CNC(=O)c3ccco3)cc2c1
InChIInChI=1S/C16H14N2O4/c1-21-12-4-5-13-10(8-12)7-11(15(19)18-13)9-17-16(20)14-3-2-6-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyNATBIDCFGDXZKZ-UHFFFAOYSA-N
XLogP2.06
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 110324868) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is COc1ccc2[nH]c(=O)c(CNC(=O)c3ccco3)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is NATBIDCFGDXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-12-4-5-13-10(8-12)7-11(15(19)18-13)9-17-16(20)14-3-2-6-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110324868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).