N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide

C19H18N2O3 — CID 18473135

IUPACN-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-8-9-17-15(10-14)18(22)16(12-20-17)19(23)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRTQHZKQLXFRUEV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.86
Rot. Bonds5

About N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide

N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473135) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473135
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-8-9-17-15(10-14)18(22)16(12-20-17)19(23)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRTQHZKQLXFRUEV-UHFFFAOYSA-N
XLogP2.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide (CID 18473135) is N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RTQHZKQLXFRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-14-8-9-17-15(10-14)18(22)16(12-20-17)19(23)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide?
N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).