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

C24H31N3O4 — CID 55678506

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)N(C)C
InChIInChI=1S/C24H31N3O4/c1-27(2)21(19-7-4-5-8-22(19)30-3)16-25-23(28)9-6-14-31-18-11-12-20-17(15-18)10-13-24(29)26-20/h4-5,7-8,11-12,15,21H,6,9-10,13-14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyVGSWXMGOBBIQGU-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.16
Rot. Bonds10

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

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 55678506) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
PubChem CID55678506
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)N(C)C
InChIInChI=1S/C24H31N3O4/c1-27(2)21(19-7-4-5-8-22(19)30-3)16-25-23(28)9-6-14-31-18-11-12-20-17(15-18)10-13-24(29)26-20/h4-5,7-8,11-12,15,21H,6,9-10,13-14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyVGSWXMGOBBIQGU-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55780980
6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540046

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (CID 55678506) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is COc1ccccc1C(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is VGSWXMGOBBIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-27(2)21(19-7-4-5-8-22(19)30-3)16-25-23(28)9-6-14-31-18-11-12-20-17(15-18)10-13-24(29)26-20/h4-5,7-8,11-12,15,21H,6,9-10,13-14,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 425.53 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 55678506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).