4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide

C20H28N2O4 — CID 20862069

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H28N2O4/c1-15(2)25-13-7-11-21-19(23)10-6-12-26-18-14-20(24)22(3)17-9-5-4-8-16(17)18/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,23)
InChIKeyJKNWDCZLFCOAHX-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.63
Rot. Bonds10

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 20862069) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID20862069
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H28N2O4/c1-15(2)25-13-7-11-21-19(23)10-6-12-26-18-14-20(24)22(3)17-9-5-4-8-16(17)18/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,23)
InChIKeyJKNWDCZLFCOAHX-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.63
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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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862044
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
CID 20862014
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 15995874
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622314
N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862027
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide (CID 20862069) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is JKNWDCZLFCOAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15(2)25-13-7-11-21-19(23)10-6-12-26-18-14-20(24)22(3)17-9-5-4-8-16(17)18/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,23).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 360.45 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 20862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).