N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide

C25H24N2O2 — CID 11660978

IUPACN-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29)
InChIKeyGBWIPOWIDZFYER-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.60
Rot. Bonds6

About N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide

N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 11660978) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide
PubChem CID11660978
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29)
InChIKeyGBWIPOWIDZFYER-UHFFFAOYSA-N
XLogP5.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide (CID 11660978) is N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21.
What is the InChIKey of N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is GBWIPOWIDZFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29).
What are the key properties of N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide?
N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 11660978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).