N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C22H24N2O4 — CID 55694019

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-3-4-11-28-19-10-9-15(12-20(19)27-2)14-23-21(25)17-13-16-7-5-6-8-18(16)24-22(17)26/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAWJNUEDRJJMNGZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.65
Rot. Bonds8

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55694019) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55694019
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-3-4-11-28-19-10-9-15(12-20(19)27-2)14-23-21(25)17-13-16-7-5-6-8-18(16)24-22(17)26/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAWJNUEDRJJMNGZ-UHFFFAOYSA-N
XLogP3.65
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.65
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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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
CID 23555608
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 24655966
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55694019) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is CCCCOc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AWJNUEDRJJMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-4-11-28-19-10-9-15(12-20(19)27-2)14-23-21(25)17-13-16-7-5-6-8-18(16)24-22(17)26/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55694019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).