N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide

C21H22N2O3 — CID 4979289

IUPACN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O3/c1-3-6-21(25)23(16-9-11-17(26-2)12-10-16)14-15-13-20(24)22-19-8-5-4-7-18(15)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24)
InChIKeyVTHOEIIBCLBRGR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.87
Rot. Bonds6

About N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide

N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide (PubChem CID 4979289) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
PubChem CID4979289
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O3/c1-3-6-21(25)23(16-9-11-17(26-2)12-10-16)14-15-13-20(24)22-19-8-5-4-7-18(15)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24)
InChIKeyVTHOEIIBCLBRGR-UHFFFAOYSA-N
XLogP3.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide (CID 4979289) is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide is CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The InChIKey is VTHOEIIBCLBRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-6-21(25)23(16-9-11-17(26-2)12-10-16)14-15-13-20(24)22-19-8-5-4-7-18(15)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide is sourced from PubChem (CID 4979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).