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

C21H22N2O2 — CID 2963152

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-8-10-18(11-9-15)23-14-17(13-20(23)24)21(25)22-12-4-6-16-5-2-3-7-19(16)22/h2-3,5,7-11,17H,4,6,12-14H2,1H3
InChIKeyRAMDWLMUNVIYBT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.33
Rot. Bonds2

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 2963152) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID2963152
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-8-10-18(11-9-15)23-14-17(13-20(23)24)21(25)22-12-4-6-16-5-2-3-7-19(16)22/h2-3,5,7-11,17H,4,6,12-14H2,1H3
InChIKeyRAMDWLMUNVIYBT-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 2963152) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is RAMDWLMUNVIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-8-10-18(11-9-15)23-14-17(13-20(23)24)21(25)22-12-4-6-16-5-2-3-7-19(16)22/h2-3,5,7-11,17H,4,6,12-14H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 2963152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).