5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one

C20H21ClN4O2 — CID 90288804

IUPAC5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1ccc(-c2cnc3ccc(Cl)nc3c2)cn1CCCN1CCOCC1
InChIInChI=1S/C20H21ClN4O2/c21-19-4-3-17-18(23-19)12-16(13-22-17)15-2-5-20(26)25(14-15)7-1-6-24-8-10-27-11-9-24/h2-5,12-14H,1,6-11H2
InChIKeyBCXQVBXLDFJMCE-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.83
Rot. Bonds5

About 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one

5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one (PubChem CID 90288804) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one
PubChem CID90288804
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1ccc(-c2cnc3ccc(Cl)nc3c2)cn1CCCN1CCOCC1
InChIInChI=1S/C20H21ClN4O2/c21-19-4-3-17-18(23-19)12-16(13-22-17)15-2-5-20(26)25(14-15)7-1-6-24-8-10-27-11-9-24/h2-5,12-14H,1,6-11H2
InChIKeyBCXQVBXLDFJMCE-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(4-(7-Chloro-4-quinolyl)piperazin-1-yl)acetyl)morpholine (5e)
CID 60592153
N-((3-Morpholinopyridin-4-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide
CID 52948416
N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117609696
N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
CID 117609761
Morpholin-4-yl-(4-quinolin-3-ylpiperazin-1-yl)methanone
CID 76321042
(E)-1-morpholin-4-yl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-en-1-one
CID 164611994
4-({5-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]pyridin-2-yl}methyl)morpholine
CID 90421791
US10377753, Example 5
CID 124175852
N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 14330377
2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 46227120
2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 46227141
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 46227184

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The IUPAC name of 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one (CID 90288804) is 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one is O=c1ccc(-c2cnc3ccc(Cl)nc3c2)cn1CCCN1CCOCC1.
What is the InChIKey of 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The InChIKey is BCXQVBXLDFJMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-19-4-3-17-18(23-19)12-16(13-22-17)15-2-5-20(26)25(14-15)7-1-6-24-8-10-27-11-9-24/h2-5,12-14H,1,6-11H2.
What are the key properties of 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one has a molecular weight of 384.87 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 90288804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).