(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid

C25H35N3O6 — CID 15692562

IUPAC(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C25H35N3O6/c1-3-5-7-14-28(15-8-6-4-2)25(34)18(12-13-22(31)32)27-24(33)19-16-21(30)17-10-9-11-20(29)23(17)26-19/h9-11,16,18,29H,3-8,12-15H2,1-2H3,(H,26,30)(H,27,33)(H,31,32)/t18-/m1/s1
InChIKeyGEEJEIXMVFCBTO-GOSISDBHSA-N
MW473.57 g/mol
LogP3.41
Rot. Bonds14

About (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid

(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 15692562) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID15692562
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Name(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C25H35N3O6/c1-3-5-7-14-28(15-8-6-4-2)25(34)18(12-13-22(31)32)27-24(33)19-16-21(30)17-10-9-11-20(29)23(17)26-19/h9-11,16,18,29H,3-8,12-15H2,1-2H3,(H,26,30)(H,27,33)(H,31,32)/t18-/m1/s1
InChIKeyGEEJEIXMVFCBTO-GOSISDBHSA-N
XLogP3.41
TPSA139.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid (CID 15692562) is (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid is CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GEEJEIXMVFCBTO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-3-5-7-14-28(15-8-6-4-2)25(34)18(12-13-22(31)32)27-24(33)19-16-21(30)17-10-9-11-20(29)23(17)26-19/h9-11,16,18,29H,3-8,12-15H2,1-2H3,(H,26,30)(H,27,33)(H,31,32)/t18-/m1/s1.
What are the key properties of (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid?
(4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 473.57 g/mol, XLogP of 3.41, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(dipentylamino)-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 15692562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).