4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide

C20H21N3O3 — CID 70553816

IUPAC4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCCCCOc1c(C(=O)Nc2ccccn2)c(=O)n(C)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-3-4-13-26-18-14-9-5-6-10-15(14)23(2)20(25)17(18)19(24)22-16-11-7-8-12-21-16/h5-12H,3-4,13H2,1-2H3,(H,21,22,24)
InChIKeyBLFVMFNXUWUFMO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.36
Rot. Bonds6

About 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide

4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide (PubChem CID 70553816) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
PubChem CID70553816
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCCCCOc1c(C(=O)Nc2ccccn2)c(=O)n(C)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-3-4-13-26-18-14-9-5-6-10-15(14)23(2)20(25)17(18)19(24)22-16-11-7-8-12-21-16/h5-12H,3-4,13H2,1-2H3,(H,21,22,24)
InChIKeyBLFVMFNXUWUFMO-UHFFFAOYSA-N
XLogP3.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide (CID 70553816) is 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide is CCCCOc1c(C(=O)Nc2ccccn2)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The InChIKey is BLFVMFNXUWUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-4-13-26-18-14-9-5-6-10-15(14)23(2)20(25)17(18)19(24)22-16-11-7-8-12-21-16/h5-12H,3-4,13H2,1-2H3,(H,21,22,24).
What are the key properties of 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-methyl-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 70553816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).