2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid

C18H19ClN4O3 — CID 122052022

IUPAC2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(c2c(C#N)cnc3ccc(Cl)cc23)CCO1
InChIInChI=1S/C18H19ClN4O3/c1-22(11-17(24)25)9-14-10-23(4-5-26-14)18-12(7-20)8-21-16-3-2-13(19)6-15(16)18/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,24,25)
InChIKeyOYEGCIIESAXWQH-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.98
Rot. Bonds5

About 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122052022) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122052022
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(c2c(C#N)cnc3ccc(Cl)cc23)CCO1
InChIInChI=1S/C18H19ClN4O3/c1-22(11-17(24)25)9-14-10-23(4-5-26-14)18-12(7-20)8-21-16-3-2-13(19)6-15(16)18/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,24,25)
InChIKeyOYEGCIIESAXWQH-UHFFFAOYSA-N
XLogP1.98
TPSA89.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic 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 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 122052022) is 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(c2c(C#N)cnc3ccc(Cl)cc23)CCO1.
What is the InChIKey of 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is OYEGCIIESAXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-22(11-17(24)25)9-14-10-23(4-5-26-14)18-12(7-20)8-21-16-3-2-13(19)6-15(16)18/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,24,25).
What are the key properties of 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 374.83 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).