ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate

C18H24N2O3 — CID 658207

IUPACethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-3-5-6-9-12-19-16-13-10-7-8-11-14(13)20-17(21)15(16)18(22)23-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H2,19,20,21)
InChIKeyUHGNOPKYKHJPRV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.70
Rot. Bonds8

About ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 658207) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID658207
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-3-5-6-9-12-19-16-13-10-7-8-11-14(13)20-17(21)15(16)18(22)23-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H2,19,20,21)
InChIKeyUHGNOPKYKHJPRV-UHFFFAOYSA-N
XLogP3.70
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate (CID 658207) is ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate is CCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12.
What is the InChIKey of ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is UHGNOPKYKHJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-5-6-9-12-19-16-13-10-7-8-11-14(13)20-17(21)15(16)18(22)23-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H2,19,20,21).
What are the key properties of ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hexylamino)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 658207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).