7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one

C18H17N3O2 — CID 11312833

IUPAC7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(N3CCOCC3)ccc12
InChIInChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22)
InChIKeyIYMKLWDSUIVPMJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.43
Rot. Bonds2

About 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one

7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 11312833) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID11312833
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(N3CCOCC3)ccc12
InChIInChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22)
InChIKeyIYMKLWDSUIVPMJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one (CID 11312833) is 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nc(N3CCOCC3)ccc12.
What is the InChIKey of 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is IYMKLWDSUIVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22).
What are the key properties of 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one?
7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 11312833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).