6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one

C17H22N2O3 — CID 53135746

IUPAC6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H22N2O3/c1-2-7-19-15-5-3-14(12-13(15)4-6-16(19)20)17(21)18-8-10-22-11-9-18/h3,5,12H,2,4,6-11H2,1H3
InChIKeyZVLURUUXZZNLCS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.85
Rot. Bonds3

About 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one

6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one (PubChem CID 53135746) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one
PubChem CID53135746
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H22N2O3/c1-2-7-19-15-5-3-14(12-13(15)4-6-16(19)20)17(21)18-8-10-22-11-9-18/h3,5,12H,2,4,6-11H2,1H3
InChIKeyZVLURUUXZZNLCS-UHFFFAOYSA-N
XLogP1.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one (CID 53135746) is 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one is CCCN1C(=O)CCc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZVLURUUXZZNLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-7-19-15-5-3-14(12-13(15)4-6-16(19)20)17(21)18-8-10-22-11-9-18/h3,5,12H,2,4,6-11H2,1H3.
What are the key properties of 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one?
6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-1-propyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 53135746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).