N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide

C20H20N2O3 — CID 143859399

IUPACN-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
SMILESCCOCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-2-24-11-12-25-18-7-3-6-17(14-18)22-20(23)16-8-9-19-15(13-16)5-4-10-21-19/h3-10,13-14H,2,11-12H2,1H3,(H,22,23)
InChIKeyYCHZBZQJXPFRQD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.90
Rot. Bonds7

About N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide

N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide (PubChem CID 143859399) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
PubChem CID143859399
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
SMILESCCOCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-2-24-11-12-25-18-7-3-6-17(14-18)22-20(23)16-8-9-19-15(13-16)5-4-10-21-19/h3-10,13-14H,2,11-12H2,1H3,(H,22,23)
InChIKeyYCHZBZQJXPFRQD-UHFFFAOYSA-N
XLogP3.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide (CID 143859399) is N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide is CCOCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide?
The InChIKey is YCHZBZQJXPFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-24-11-12-25-18-7-3-6-17(14-18)22-20(23)16-8-9-19-15(13-16)5-4-10-21-19/h3-10,13-14H,2,11-12H2,1H3,(H,22,23).
What are the key properties of N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide?
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 143859399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).