8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide

C20H21N3O4 — CID 23555588

IUPAC8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
InChIInChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKIGQSJUNJMMKL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.30
Rot. Bonds7

About 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide

8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide (PubChem CID 23555588) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide
PubChem CID23555588
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
InChIInChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKIGQSJUNJMMKL-UHFFFAOYSA-N
XLogP2.30
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide (CID 23555588) is 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide is CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12.
What is the InChIKey of 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is YKIGQSJUNJMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide?
8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).