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

C22H24N2O3 — CID 6494498

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-27-19-11-9-18(10-12-19)24-15-17(14-21(24)25)22(26)23-13-5-7-16-6-3-4-8-20(16)23/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3
InChIKeyFTPLUTIBXSDXOA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds4

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 6494498) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
PubChem CID6494498
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-27-19-11-9-18(10-12-19)24-15-17(14-21(24)25)22(26)23-13-5-7-16-6-3-4-8-20(16)23/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3
InChIKeyFTPLUTIBXSDXOA-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (CID 6494498) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is CCOc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is FTPLUTIBXSDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-27-19-11-9-18(10-12-19)24-15-17(14-21(24)25)22(26)23-13-5-7-16-6-3-4-8-20(16)23/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 6494498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).