N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

C24H27ClN2O3 — CID 78852822

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C24H27ClN2O3/c1-16(17-4-7-19(25)8-5-17)27(20-9-10-20)24(29)3-2-14-30-21-11-12-22-18(15-21)6-13-23(28)26-22/h4-5,7-8,11-12,15-16,20H,2-3,6,9-10,13-14H2,1H3,(H,26,28)
InChIKeyUTFXFVFBBREJTC-UHFFFAOYSA-N
MW426.94 g/mol
LogP5.14
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 78852822) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
PubChem CID78852822
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C24H27ClN2O3/c1-16(17-4-7-19(25)8-5-17)27(20-9-10-20)24(29)3-2-14-30-21-11-12-22-18(15-21)6-13-23(28)26-22/h4-5,7-8,11-12,15-16,20H,2-3,6,9-10,13-14H2,1H3,(H,26,28)
InChIKeyUTFXFVFBBREJTC-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
1-[methyl-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539489
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389
6-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55970935
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55595871
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (CID 78852822) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is CC(c1ccc(Cl)cc1)N(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is UTFXFVFBBREJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-16(17-4-7-19(25)8-5-17)27(20-9-10-20)24(29)3-2-14-30-21-11-12-22-18(15-21)6-13-23(28)26-22/h4-5,7-8,11-12,15-16,20H,2-3,6,9-10,13-14H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 426.94 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 78852822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).