2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine

C20H21ClN4O — CID 44610160

IUPAC2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESCN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C20H21ClN4O/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyPYWONCCOTIFKMA-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine

2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (PubChem CID 44610160) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
PubChem CID44610160
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESCN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C20H21ClN4O/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyPYWONCCOTIFKMA-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (CID 44610160) is 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is CN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The InChIKey is PYWONCCOTIFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine has a molecular weight of 368.87 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is sourced from PubChem (CID 44610160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).