N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H19N3O — CID 106901308

IUPACN-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CCC#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H19N3O/c1-2-18(9-5-8-16)15(19)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,2,5,9-11H2,1H3
InChIKeyVMCLURZFOQMFHX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901308) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901308
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CCC#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H19N3O/c1-2-18(9-5-8-16)15(19)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,2,5,9-11H2,1H3
InChIKeyVMCLURZFOQMFHX-UHFFFAOYSA-N
XLogP2.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901307
N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901300
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901490
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
CID 106901292
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901308) is N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is CCN(CCC#N)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is VMCLURZFOQMFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(9-5-8-16)15(19)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,2,5,9-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).