1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

C19H26N2O3 — CID 72928258

IUPAC1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESCCCOCC1CCN(C(=O)CN2C(=O)CCc3ccccc32)C1
InChIInChI=1S/C19H26N2O3/c1-2-11-24-14-15-9-10-20(12-15)19(23)13-21-17-6-4-3-5-16(17)7-8-18(21)22/h3-6,15H,2,7-14H2,1H3
InChIKeyTVWKIBHRXHHKLM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 72928258) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
PubChem CID72928258
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESCCCOCC1CCN(C(=O)CN2C(=O)CCc3ccccc32)C1
InChIInChI=1S/C19H26N2O3/c1-2-11-24-14-15-9-10-20(12-15)19(23)13-21-17-6-4-3-5-16(17)7-8-18(21)22/h3-6,15H,2,7-14H2,1H3
InChIKeyTVWKIBHRXHHKLM-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (CID 72928258) is 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one is CCCOCC1CCN(C(=O)CN2C(=O)CCc3ccccc32)C1.
What is the InChIKey of 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is TVWKIBHRXHHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-11-24-14-15-9-10-20(12-15)19(23)13-21-17-6-4-3-5-16(17)7-8-18(21)22/h3-6,15H,2,7-14H2,1H3.
What are the key properties of 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 72928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).