N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C19H24N2O3 — CID 3235983

IUPACN-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-21-16-10-5-4-9-15(16)17(13-19(21)23)24-12-6-11-18(22)20-14-7-2-3-8-14/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,20,22)
InChIKeyPVIVYGSGAXYFDD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.76
Rot. Bonds6

About N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 3235983) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID3235983
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-21-16-10-5-4-9-15(16)17(13-19(21)23)24-12-6-11-18(22)20-14-7-2-3-8-14/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,20,22)
InChIKeyPVIVYGSGAXYFDD-UHFFFAOYSA-N
XLogP2.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 3235983) is N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is Cn1c(=O)cc(OCCCC(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is PVIVYGSGAXYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21-16-10-5-4-9-15(16)17(13-19(21)23)24-12-6-11-18(22)20-14-7-2-3-8-14/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 328.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 3235983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).