1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

C16H24N2O3 — CID 110203904

IUPAC1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1C(=O)CCC2(C(=O)N3CCOCC3)CCCC=C12
InChIInChI=1S/C16H24N2O3/c1-2-18-13-5-3-4-7-16(13,8-6-14(18)19)15(20)17-9-11-21-12-10-17/h5H,2-4,6-12H2,1H3
InChIKeyNULAIEGPVSRONG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds2

About 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (PubChem CID 110203904) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
PubChem CID110203904
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1C(=O)CCC2(C(=O)N3CCOCC3)CCCC=C12
InChIInChI=1S/C16H24N2O3/c1-2-18-13-5-3-4-7-16(13,8-6-14(18)19)15(20)17-9-11-21-12-10-17/h5H,2-4,6-12H2,1H3
InChIKeyNULAIEGPVSRONG-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The IUPAC name of 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (CID 110203904) is 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is CCN1C(=O)CCC2(C(=O)N3CCOCC3)CCCC=C12.
What is the InChIKey of 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The InChIKey is NULAIEGPVSRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18-13-5-3-4-7-16(13,8-6-14(18)19)15(20)17-9-11-21-12-10-17/h5H,2-4,6-12H2,1H3.
What are the key properties of 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 110203904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).