4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane

C20H22ClN3O — CID 143936489

IUPAC4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
SMILESCC.Clc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12
InChIInChI=1S/C18H16ClN3O.C2H6/c19-18-15-2-1-7-20-17(15)12-16(21-18)13-3-5-14(6-4-13)22-8-10-23-11-9-22;1-2/h1-7,12H,8-11H2;1-2H3
InChIKeyCCFAMUICBDQDFG-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.81
Rot. Bonds2

About 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane

4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane (PubChem CID 143936489) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane.

Molecular Properties

Compound Name4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
PubChem CID143936489
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
SMILESCC.Clc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12
InChIInChI=1S/C18H16ClN3O.C2H6/c19-18-15-2-1-7-20-17(15)12-16(21-18)13-3-5-14(6-4-13)22-8-10-23-11-9-22;1-2/h1-7,12H,8-11H2;1-2H3
InChIKeyCCFAMUICBDQDFG-UHFFFAOYSA-N
XLogP4.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine
CID 44816203
2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 160644132
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
N-methyl-N-[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]morpholin-2-amine
CID 67187234
N-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
CID 67353594
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133
2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
CID 91234911
1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine
CID 58398186
4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
CID 142527672
(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
CID 71113836
4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 86659733
3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
CID 71113456

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane?
The IUPAC name of 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane (CID 143936489) is 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane.
What is the SMILES notation for 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane?
The canonical SMILES for 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane is CC.Clc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12.
What is the InChIKey of 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane?
The InChIKey is CCFAMUICBDQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O.C2H6/c19-18-15-2-1-7-20-17(15)12-16(21-18)13-3-5-14(6-4-13)22-8-10-23-11-9-22;1-2/h1-7,12H,8-11H2;1-2H3.
What are the key properties of 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane?
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane has a molecular weight of 355.87 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane is sourced from PubChem (CID 143936489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).