1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C18H29N3O3 — CID 91925181

IUPAC1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCCN3CCOCC3)CCCC=C12
InChIInChI=1S/C18H29N3O3/c1-2-21-15-5-3-4-7-18(15,8-6-16(21)22)17(23)19-9-10-20-11-13-24-14-12-20/h5H,2-4,6-14H2,1H3,(H,19,23)
InChIKeyMIJOVJNQNKFIOS-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.13
Rot. Bonds5

About 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925181) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925181
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCCN3CCOCC3)CCCC=C12
InChIInChI=1S/C18H29N3O3/c1-2-21-15-5-3-4-7-18(15,8-6-16(21)22)17(23)19-9-10-20-11-13-24-14-12-20/h5H,2-4,6-14H2,1H3,(H,19,23)
InChIKeyMIJOVJNQNKFIOS-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925181) is 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NCCN3CCOCC3)CCCC=C12.
What is the InChIKey of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is MIJOVJNQNKFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-2-21-15-5-3-4-7-18(15,8-6-16(21)22)17(23)19-9-10-20-11-13-24-14-12-20/h5H,2-4,6-14H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).