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

C18H17ClN4O — CID 58229452

IUPAC2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESNc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C18H17ClN4O/c19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23/h1-4,9-11H,5-8,20H2
InChIKeyKAQDOSVFMJQFLT-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.37
Rot. Bonds2

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

2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (PubChem CID 58229452) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
PubChem CID58229452
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESNc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C18H17ClN4O/c19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23/h1-4,9-11H,5-8,20H2
InChIKeyKAQDOSVFMJQFLT-UHFFFAOYSA-N
XLogP3.37
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (CID 58229452) is 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The InChIKey is KAQDOSVFMJQFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23/h1-4,9-11H,5-8,20H2.
What are the key properties of 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine has a molecular weight of 340.81 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is sourced from PubChem (CID 58229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).