4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide

C16H21N3O2 — CID 11514759

IUPAC4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-2-3-4-7-10-18-15(20)13-14(17)11-8-5-6-9-12(11)19-16(13)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyXKRMILFWTWAKJI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds6

About 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide

4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 11514759) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID11514759
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-2-3-4-7-10-18-15(20)13-14(17)11-8-5-6-9-12(11)19-16(13)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyXKRMILFWTWAKJI-UHFFFAOYSA-N
XLogP2.42
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
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 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide (CID 11514759) is 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide is CCCCCCNC(=O)c1c(N)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XKRMILFWTWAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-4-7-10-18-15(20)13-14(17)11-8-5-6-9-12(11)19-16(13)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide?
4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11514759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).