1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

C20H18Cl2N2O2 — CID 113190991

IUPAC1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2O2/c21-15-7-8-18(16(22)11-15)24-12-14(10-19(24)25)20(26)23-9-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,11,14H,3,5,9-10,12H2
InChIKeyHCOJWWNHZWOOIX-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.33
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 113190991) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID113190991
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2O2/c21-15-7-8-18(16(22)11-15)24-12-14(10-19(24)25)20(26)23-9-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,11,14H,3,5,9-10,12H2
InChIKeyHCOJWWNHZWOOIX-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166199165
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97040954
1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 53125838
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113190973
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (CID 113190991) is 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HCOJWWNHZWOOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-15-7-8-18(16(22)11-15)24-12-14(10-19(24)25)20(26)23-9-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,11,14H,3,5,9-10,12H2.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 389.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113190991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).