N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide

C20H24N2O4 — CID 50977405

IUPACN-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(CC)o1
InChIInChI=1S/C20H24N2O4/c1-4-6-19(23)22-16-9-13-14(17-8-7-12(5-2)26-17)10-20(24)21-15(13)11-18(16)25-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHKVRTPXWRZTKSI-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.06
Rot. Bonds6

About N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide

N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide (PubChem CID 50977405) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide.

Molecular Properties

Compound NameN-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
PubChem CID50977405
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(CC)o1
InChIInChI=1S/C20H24N2O4/c1-4-6-19(23)22-16-9-13-14(17-8-7-12(5-2)26-17)10-20(24)21-15(13)11-18(16)25-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHKVRTPXWRZTKSI-UHFFFAOYSA-N
XLogP4.06
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The IUPAC name of N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide (CID 50977405) is N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide.
What is the SMILES notation for N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The canonical SMILES for N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide is CCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(CC)o1.
What is the InChIKey of N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The InChIKey is HKVRTPXWRZTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-6-19(23)22-16-9-13-14(17-8-7-12(5-2)26-17)10-20(24)21-15(13)11-18(16)25-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide has a molecular weight of 356.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide is sourced from PubChem (CID 50977405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).