N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C21H35N3O2 — CID 91925188

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCCN(C)C3CCCCC3)CCCC=C12
InChIInChI=1S/C21H35N3O2/c1-3-24-18-11-7-8-13-21(18,14-12-19(24)25)20(26)22-15-16-23(2)17-9-5-4-6-10-17/h11,17H,3-10,12-16H2,1-2H3,(H,22,26)
InChIKeyJEPFNNVGZXRCKW-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925188) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925188
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCCN(C)C3CCCCC3)CCCC=C12
InChIInChI=1S/C21H35N3O2/c1-3-24-18-11-7-8-13-21(18,14-12-19(24)25)20(26)22-15-16-23(2)17-9-5-4-6-10-17/h11,17H,3-10,12-16H2,1-2H3,(H,22,26)
InChIKeyJEPFNNVGZXRCKW-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925188) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NCCN(C)C3CCCCC3)CCCC=C12.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is JEPFNNVGZXRCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-24-18-11-7-8-13-21(18,14-12-19(24)25)20(26)22-15-16-23(2)17-9-5-4-6-10-17/h11,17H,3-10,12-16H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).