N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C21H23ClN2O3 — CID 86929724

IUPACN-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCCc3cc(Cl)ccc32)NC(C)=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14(25)23-19(15-5-8-18(27-2)9-6-15)13-21(26)24-11-3-4-16-12-17(22)7-10-20(16)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyZMSOPLPYUCWEGL-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.90
Rot. Bonds5

About N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 86929724) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID86929724
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCCc3cc(Cl)ccc32)NC(C)=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14(25)23-19(15-5-8-18(27-2)9-6-15)13-21(26)24-11-3-4-16-12-17(22)7-10-20(16)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyZMSOPLPYUCWEGL-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide 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-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415
N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 55971151
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 45342349
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132912
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
CID 55589826

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 86929724) is N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc(C(CC(=O)N2CCCc3cc(Cl)ccc32)NC(C)=O)cc1.
What is the InChIKey of N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is ZMSOPLPYUCWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14(25)23-19(15-5-8-18(27-2)9-6-15)13-21(26)24-11-3-4-16-12-17(22)7-10-20(16)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 86929724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).