N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide

C16H18N2O2 — CID 142731587

IUPACN-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC/C=C/CCCNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-2-3-4-7-10-17-15(19)13-11-12-8-5-6-9-14(12)18-16(13)20/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,19)(H,18,20)/b3-2+
InChIKeyZJNUPMWVWUIILV-NSCUHMNNSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds5

About N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142731587) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142731587
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC/C=C/CCCNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-2-3-4-7-10-17-15(19)13-11-12-8-5-6-9-14(12)18-16(13)20/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,19)(H,18,20)/b3-2+
InChIKeyZJNUPMWVWUIILV-NSCUHMNNSA-N
XLogP2.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide (CID 142731587) is N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide is C/C=C/CCCNC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZJNUPMWVWUIILV-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-4-7-10-17-15(19)13-11-12-8-5-6-9-14(12)18-16(13)20/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,19)(H,18,20)/b3-2+.
What are the key properties of N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142731587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).