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

C16H18N4O — CID 106901307

IUPACN,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H18N4O/c17-7-3-9-20(10-4-8-18)16(21)14-11-13-5-1-2-6-15(13)19-12-14/h1-2,5-6,14,19H,3-4,9-12H2
InChIKeyRMMLGNGMZXHJSP-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.93
Rot. Bonds5

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

N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901307) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901307
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H18N4O/c17-7-3-9-20(10-4-8-18)16(21)14-11-13-5-1-2-6-15(13)19-12-14/h1-2,5-6,14,19H,3-4,9-12H2
InChIKeyRMMLGNGMZXHJSP-UHFFFAOYSA-N
XLogP1.93
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901308
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
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
(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-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
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 82739395

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901307) is N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is N#CCCN(CCC#N)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is RMMLGNGMZXHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-7-3-9-20(10-4-8-18)16(21)14-11-13-5-1-2-6-15(13)19-12-14/h1-2,5-6,14,19H,3-4,9-12H2.
What are the key properties of N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).