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

C16H21N3O — CID 106901300

IUPACN-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H21N3O/c1-3-19(11-12(2)9-17)16(20)14-8-13-6-4-5-7-15(13)18-10-14/h4-7,12,14,18H,3,8,10-11H2,1-2H3
InChIKeyXGXPQOXHOHPJTD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.28
Rot. Bonds4

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

N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901300) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901300
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H21N3O/c1-3-19(11-12(2)9-17)16(20)14-8-13-6-4-5-7-15(13)18-10-14/h4-7,12,14,18H,3,8,10-11H2,1-2H3
InChIKeyXGXPQOXHOHPJTD-UHFFFAOYSA-N
XLogP2.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901308
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901490
N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901307
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156300
N-(2-cyanopropyl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47071522
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
CID 61381712

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901300) is N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is CCN(CC(C)C#N)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is XGXPQOXHOHPJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19(11-12(2)9-17)16(20)14-8-13-6-4-5-7-15(13)18-10-14/h4-7,12,14,18H,3,8,10-11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).