4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide

C23H26N2O3 — CID 20862057

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-16(2)17-10-12-18(13-11-17)24-22(26)9-6-14-28-21-15-23(27)25(3)20-8-5-4-7-19(20)21/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyJYSUGASVTMZFAL-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.46
Rot. Bonds7

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 20862057) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide
PubChem CID20862057
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-16(2)17-10-12-18(13-11-17)24-22(26)9-6-14-28-21-15-23(27)25(3)20-8-5-4-7-19(20)21/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyJYSUGASVTMZFAL-UHFFFAOYSA-N
XLogP4.46
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Flindersine
CID 68230
N-Methylflindersine
CID 72819
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
N-Methylschinifoline
CID 101652163
4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503368
4-(cyclopentoxy)-6-methyl-3-propyl-1H-quinolin-2-one
CID 503369
4-(cyclobutylmethoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 503382
4-(cyclobutylmethoxy)-6-fluoro-3-isopropyl-1H-quinolin-2-one
CID 503384
4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
CID 3013147
2-amino-6-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920235
N-(3-methoxyphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 9550180

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide (CID 20862057) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is JYSUGASVTMZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(2)17-10-12-18(13-11-17)24-22(26)9-6-14-28-21-15-23(27)25(3)20-8-5-4-7-19(20)21/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,26).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 378.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 20862057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).