sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid

C25H29N2NaO4 — CID 173223137

IUPACsodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid
SMILESCCCCC(Cc1ccc(OCCNC(=O)c2cnc3ccccc3c2)cc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C25H28N2O4.Na.H/c1-2-3-6-20(25(29)30)15-18-9-11-22(12-10-18)31-14-13-26-24(28)21-16-19-7-4-5-8-23(19)27-17-21;;/h4-5,7-12,16-17,20H,2-3,6,13-15H2,1H3,(H,26,28)(H,29,30);;/q;+1;-1
InChIKeyVPSRGZNKLOLMEV-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.59
Rot. Bonds11

About sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid

sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid (PubChem CID 173223137) has the molecular formula C25H29N2NaO4 and a molecular weight of 444.51 g/mol. Its IUPAC name is sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid
PubChem CID173223137
Molecular FormulaC25H29N2NaO4
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Namesodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid
SMILESCCCCC(Cc1ccc(OCCNC(=O)c2cnc3ccccc3c2)cc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C25H28N2O4.Na.H/c1-2-3-6-20(25(29)30)15-18-9-11-22(12-10-18)31-14-13-26-24(28)21-16-19-7-4-5-8-23(19)27-17-21;;/h4-5,7-12,16-17,20H,2-3,6,13-15H2,1H3,(H,26,28)(H,29,30);;/q;+1;-1
InChIKeyVPSRGZNKLOLMEV-UHFFFAOYSA-N
XLogP1.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-[2-[(6-phenoxypyridine-3-carbonyl)amino]ethoxy]phenyl]methyl]hexanoate
CID 18625705
2-[[4-[2-[[4-[4-(dimethoxymethyl)phenyl]benzoyl]amino]ethoxy]phenyl]methyl]hexanoic acid
CID 18625740
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
2-[[4-[2-[[4-[3-(ethoxymethoxymethyl)phenyl]benzoyl]amino]ethoxy]phenyl]methyl]hexanoic acid
CID 18625995
ethyl 2-[[4-[2-[[4-(4-hydroxyphenyl)benzoyl]amino]ethoxy]phenyl]methyl]hexanoate
CID 18625857
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
ethyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[[4-[2-[(3-methylquinoline-2-carbonyl)amino]ethoxy]phenyl]methyl]-4-oxobutanoate
CID 139845748
butyl quinoline-3-carboxylate
CID 54753708
sodium 2-[[4-[2-[[4-[3-[ethoxy(methoxy)methyl]phenyl]benzoyl]amino]ethoxy]phenyl]methyl]hexanoate
CID 70024962
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid?
The IUPAC name of sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid (CID 173223137) is sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid.
What is the SMILES notation for sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid?
The canonical SMILES for sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid is CCCCC(Cc1ccc(OCCNC(=O)c2cnc3ccccc3c2)cc1)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid?
The InChIKey is VPSRGZNKLOLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4.Na.H/c1-2-3-6-20(25(29)30)15-18-9-11-22(12-10-18)31-14-13-26-24(28)21-16-19-7-4-5-8-23(19)27-17-21;;/h4-5,7-12,16-17,20H,2-3,6,13-15H2,1H3,(H,26,28)(H,29,30);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid?
sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid has a molecular weight of 444.51 g/mol, XLogP of 1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid is sourced from PubChem (CID 173223137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).