1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C15H24N2O2 — CID 110203903

IUPAC1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NC(C)C)CCCC=C12
InChIInChI=1S/C15H24N2O2/c1-4-17-12-7-5-6-9-15(12,10-8-13(17)18)14(19)16-11(2)3/h7,11H,4-6,8-10H2,1-3H3,(H,16,19)
InChIKeyGMDPWOITNZWXMH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds3

About 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 110203903) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID110203903
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NC(C)C)CCCC=C12
InChIInChI=1S/C15H24N2O2/c1-4-17-12-7-5-6-9-15(12,10-8-13(17)18)14(19)16-11(2)3/h7,11H,4-6,8-10H2,1-3H3,(H,16,19)
InChIKeyGMDPWOITNZWXMH-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 110203903) is 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NC(C)C)CCCC=C12.
What is the InChIKey of 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is GMDPWOITNZWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17-12-7-5-6-9-15(12,10-8-13(17)18)14(19)16-11(2)3/h7,11H,4-6,8-10H2,1-3H3,(H,16,19).
What are the key properties of 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 110203903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).