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

C16H24N2O2 — CID 110203906

IUPACN-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCC3CC3)CCCC=C12
InChIInChI=1S/C16H24N2O2/c1-2-18-13-5-3-4-9-16(13,10-8-14(18)19)15(20)17-11-12-6-7-12/h5,12H,2-4,6-11H2,1H3,(H,17,20)
InChIKeyCJSOYHXUNZPNPJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds4

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

N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 110203906) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID110203906
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCC3CC3)CCCC=C12
InChIInChI=1S/C16H24N2O2/c1-2-18-13-5-3-4-9-16(13,10-8-14(18)19)15(20)17-11-12-6-7-12/h5,12H,2-4,6-11H2,1H3,(H,17,20)
InChIKeyCJSOYHXUNZPNPJ-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 110203906) is N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NCC3CC3)CCCC=C12.
What is the InChIKey of N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is CJSOYHXUNZPNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18-13-5-3-4-9-16(13,10-8-14(18)19)15(20)17-11-12-6-7-12/h5,12H,2-4,6-11H2,1H3,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 110203906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).