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

C20H19ClN2O2 — CID 6497589

IUPAC1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2
InChIKeyNCVDFEDJWWVFGH-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.67
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 6497589) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID6497589
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2
InChIKeyNCVDFEDJWWVFGH-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (CID 6497589) is 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NCVDFEDJWWVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2.
What are the key properties of 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 354.84 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6497589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).