N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

C21H22N2O3 — CID 6622314

IUPACN-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCc1ccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-15-8-10-16(11-9-15)13-22-20(24)14-26-19-12-21(25)23(2)18-7-5-4-6-17(18)19/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyHVZWQUWRMCMFJI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.80
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 6622314) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID6622314
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCc1ccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-15-8-10-16(11-9-15)13-22-20(24)14-26-19-12-21(25)23(2)18-7-5-4-6-17(18)19/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyHVZWQUWRMCMFJI-UHFFFAOYSA-N
XLogP2.80
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861851
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
N-(5-chloro-2-pyridinyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861847
N-(3-chloro-4-methoxyphenyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 122175567
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
CID 2786360
ethyl (2E)-2-[(2E)-3-benzyl-2-[[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 167529936
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
CID 20862069
(1-methyl-2-oxoquinolin-4-yl) 2-bromobenzoate
CID 10808284
2-(2-methoxyphenoxy)-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786884

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 6622314) is N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CCc1ccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is HVZWQUWRMCMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-15-8-10-16(11-9-15)13-22-20(24)14-26-19-12-21(25)23(2)18-7-5-4-6-17(18)19/h4-12H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 6622314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).