2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

C11H11N3O2 — CID 82393504

IUPAC2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESN#Cc1c(N)nc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C11H11N3O2/c12-5-7-9(11(15)16)6-3-1-2-4-8(6)14-10(7)13/h1-4H2,(H2,13,14)(H,15,16)
InChIKeyODTFXNPRKHDJEM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.11
Rot. Bonds1

About 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (PubChem CID 82393504) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
PubChem CID82393504
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESN#Cc1c(N)nc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C11H11N3O2/c12-5-7-9(11(15)16)6-3-1-2-4-8(6)14-10(7)13/h1-4H2,(H2,13,14)(H,15,16)
InChIKeyODTFXNPRKHDJEM-UHFFFAOYSA-N
XLogP1.11
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid 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

Methyl 2-amino-3-cyano-5,6-dimethylpyridine-4-carboxylate
CID 605487
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
CID 612226
Methyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 394328
2-Aminoquinoline-4-carboxylic acid
CID 3159677
2-Amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
Quinoline-4-carboxylic acid, 5,6,7,8-tetrahydro-3-cyano-2-ethylaminocarbonylamino-, methyl ester
CID 542118
methyl 3-cyano-2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-5,6,7,8-tetrahydroquinoline-4-carboxylate
CID 5470111
2-hydroxyethyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 1834813
2-Amino-3-cyano-5,6-tetramethylenepyridine-4-carboxamide
CID 15312043
10-Octahydroacridine-9-carboxylic acid
CID 25021209
2-Anilino-5,6,7,8-tetrahydroquinoline-4-carboxylic
CID 129780648
Methyl 3-cyano-2-((3-ethoxy-1-methyl-3-oxo-1-propenyl)amino)-5,6,7,8-tetrahydro-4-quinolinecarboxylate
CID 5932315

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (CID 82393504) is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is N#Cc1c(N)nc2c(c1C(=O)O)CCCC2.
What is the InChIKey of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is ODTFXNPRKHDJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-5-7-9(11(15)16)6-3-1-2-4-8(6)14-10(7)13/h1-4H2,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82393504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).