1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

C15H13N3O2 — CID 115450530

IUPAC1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1cc(NCC2(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C15H13N3O2/c16-8-10-7-13(17-9-15(5-6-15)14(19)20)18-12-4-2-1-3-11(10)12/h1-4,7H,5-6,9H2,(H,17,18)(H,19,20)
InChIKeyOMLNIONOCLAVAY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.38
Rot. Bonds4

About 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450530) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450530
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1cc(NCC2(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C15H13N3O2/c16-8-10-7-13(17-9-15(5-6-15)14(19)20)18-12-4-2-1-3-11(10)12/h1-4,7H,5-6,9H2,(H,17,18)(H,19,20)
InChIKeyOMLNIONOCLAVAY-UHFFFAOYSA-N
XLogP2.38
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450530) is 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is N#Cc1cc(NCC2(C(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is OMLNIONOCLAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-10-7-13(17-9-15(5-6-15)14(19)20)18-12-4-2-1-3-11(10)12/h1-4,7H,5-6,9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).