N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C23H28N2O4 — CID 113122080

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCCc3ccccc32)C(C)=O)cc1OC
InChIInChI=1S/C23H28N2O4/c1-17(26)24(16-18-10-11-21(28-2)22(15-18)29-3)14-12-23(27)25-13-6-8-19-7-4-5-9-20(19)25/h4-5,7,9-11,15H,6,8,12-14,16H2,1-3H3
InChIKeyKESXMTQIACEGLS-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.42
Rot. Bonds7

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113122080) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113122080
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCCc3ccccc32)C(C)=O)cc1OC
InChIInChI=1S/C23H28N2O4/c1-17(26)24(16-18-10-11-21(28-2)22(15-18)29-3)14-12-23(27)25-13-6-8-19-7-4-5-9-20(19)25/h4-5,7,9-11,15H,6,8,12-14,16H2,1-3H3
InChIKeyKESXMTQIACEGLS-UHFFFAOYSA-N
XLogP3.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113121269
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113127883
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113122080) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CN(CCC(=O)N2CCCc3ccccc32)C(C)=O)cc1OC.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is KESXMTQIACEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(26)24(16-18-10-11-21(28-2)22(15-18)29-3)14-12-23(27)25-13-6-8-19-7-4-5-9-20(19)25/h4-5,7,9-11,15H,6,8,12-14,16H2,1-3H3.
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).