N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

C23H23Cl2N3O3 — CID 71685426

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C23H23Cl2N3O3/c1-14(29)27-8-2-4-15-12-19(6-7-20(15)27)26-22(30)21-5-3-9-28(21)23(31)16-10-17(24)13-18(25)11-16/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,26,30)
InChIKeyHLYQSZSFXKFTQO-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.54
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 71685426) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID71685426
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C23H23Cl2N3O3/c1-14(29)27-8-2-4-15-12-19(6-7-20(15)27)26-22(30)21-5-3-9-28(21)23(31)16-10-17(24)13-18(25)11-16/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,26,30)
InChIKeyHLYQSZSFXKFTQO-UHFFFAOYSA-N
XLogP4.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide 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

(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
1-(3,5-dichlorobenzoyl)-N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 55615882
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
CID 95351102
1-(3,5-dichlorobenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-2-carboxamide
CID 55607785
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (CID 71685426) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is CC(=O)N1CCCc2cc(NC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is HLYQSZSFXKFTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c1-14(29)27-8-2-4-15-12-19(6-7-20(15)27)26-22(30)21-5-3-9-28(21)23(31)16-10-17(24)13-18(25)11-16/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,26,30).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71685426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).