(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile

C10H11N3 — CID 131137733

IUPAC(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile
SMILESN#Cc1cccc2c1[C@H](N)CCN2
InChIInChI=1S/C10H11N3/c11-6-7-2-1-3-9-10(7)8(12)4-5-13-9/h1-3,8,13H,4-5,12H2/t8-/m1/s1
InChIKeyRELNVVZKEFYXDN-MRVPVSSYSA-N
MW173.22 g/mol
LogP1.37
Rot. Bonds

About (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile

(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile (PubChem CID 131137733) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile.

Molecular Properties

Compound Name(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile
PubChem CID131137733
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile
SMILESN#Cc1cccc2c1[C@H](N)CCN2
InChIInChI=1S/C10H11N3/c11-6-7-2-1-3-9-10(7)8(12)4-5-13-9/h1-3,8,13H,4-5,12H2/t8-/m1/s1
InChIKeyRELNVVZKEFYXDN-MRVPVSSYSA-N
XLogP1.37
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The IUPAC name of (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile (CID 131137733) is (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile.
What is the SMILES notation for (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The canonical SMILES for (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile is N#Cc1cccc2c1[C@H](N)CCN2.
What is the InChIKey of (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The InChIKey is RELNVVZKEFYXDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-7-2-1-3-9-10(7)8(12)4-5-13-9/h1-3,8,13H,4-5,12H2/t8-/m1/s1.
What are the key properties of (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile is sourced from PubChem (CID 131137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).