7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid

C25H27N3O7 — CID 54708239

IUPAC7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid
SMILESCC(=O)Nc1ccc2c(O)c(C(=O)Nc3ccc(OCCCCCCC(=O)O)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H27N3O7/c1-15(29)26-17-9-12-19-20(14-17)28-25(34)22(23(19)32)24(33)27-16-7-10-18(11-8-16)35-13-5-3-2-4-6-21(30)31/h7-12,14H,2-6,13H2,1H3,(H,26,29)(H,27,33)(H,30,31)(H2,28,32,34)
InChIKeyCGWKUOPLQGXRLZ-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.86
Rot. Bonds11

About 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid

7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid (PubChem CID 54708239) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid.

Molecular Properties

Compound Name7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid
PubChem CID54708239
Molecular FormulaC25H27N3O7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid
SMILESCC(=O)Nc1ccc2c(O)c(C(=O)Nc3ccc(OCCCCCCC(=O)O)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H27N3O7/c1-15(29)26-17-9-12-19-20(14-17)28-25(34)22(23(19)32)24(33)27-16-7-10-18(11-8-16)35-13-5-3-2-4-6-21(30)31/h7-12,14H,2-6,13H2,1H3,(H,26,29)(H,27,33)(H,30,31)(H2,28,32,34)
InChIKeyCGWKUOPLQGXRLZ-UHFFFAOYSA-N
XLogP3.86
TPSA157.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
CID 58024544
butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 54682431
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258066
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
8-[4-[(3-hydroxy-5-oxo-1-phenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid
CID 54682796
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490
5-(4-anilinophenoxy)pentanoic acid
CID 43519556

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid?
The IUPAC name of 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid (CID 54708239) is 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid.
What is the SMILES notation for 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid?
The canonical SMILES for 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid is CC(=O)Nc1ccc2c(O)c(C(=O)Nc3ccc(OCCCCCCC(=O)O)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid?
The InChIKey is CGWKUOPLQGXRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-15(29)26-17-9-12-19-20(14-17)28-25(34)22(23(19)32)24(33)27-16-7-10-18(11-8-16)35-13-5-3-2-4-6-21(30)31/h7-12,14H,2-6,13H2,1H3,(H,26,29)(H,27,33)(H,30,31)(H2,28,32,34).
What are the key properties of 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid?
7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid has a molecular weight of 481.51 g/mol, XLogP of 3.86, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid is sourced from PubChem (CID 54708239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).