N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

C16H20N2O4 — CID 3217672

IUPACN-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C16H20N2O4/c1-3-22-8-4-7-17-16(20)13-10-18-14-9-11(21-2)5-6-12(14)15(13)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYFDNFFLAKAVFLK-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.69
Rot. Bonds7

About N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217672) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217672
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C16H20N2O4/c1-3-22-8-4-7-17-16(20)13-10-18-14-9-11(21-2)5-6-12(14)15(13)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYFDNFFLAKAVFLK-UHFFFAOYSA-N
XLogP1.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 3217672) is N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is CCOCCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YFDNFFLAKAVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-22-8-4-7-17-16(20)13-10-18-14-9-11(21-2)5-6-12(14)15(13)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).