7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one

C21H21N3O4 — CID 54729993

IUPAC7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one
SMILESCn1c(=O)c(C(=O)N2CCOCC2)c(O)c2ncc(Cc3ccccc3)cc21
InChIInChI=1S/C21H21N3O4/c1-23-16-12-15(11-14-5-3-2-4-6-14)13-22-18(16)19(25)17(20(23)26)21(27)24-7-9-28-10-8-24/h2-6,12-13,25H,7-11H2,1H3
InChIKeyCXEXSJQYVZGXQP-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.70
Rot. Bonds3

About 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one

7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one (PubChem CID 54729993) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one
PubChem CID54729993
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one
SMILESCn1c(=O)c(C(=O)N2CCOCC2)c(O)c2ncc(Cc3ccccc3)cc21
InChIInChI=1S/C21H21N3O4/c1-23-16-12-15(11-14-5-3-2-4-6-14)13-22-18(16)19(25)17(20(23)26)21(27)24-7-9-28-10-8-24/h2-6,12-13,25H,7-11H2,1H3
InChIKeyCXEXSJQYVZGXQP-UHFFFAOYSA-N
XLogP1.70
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one?
The IUPAC name of 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one (CID 54729993) is 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one is Cn1c(=O)c(C(=O)N2CCOCC2)c(O)c2ncc(Cc3ccccc3)cc21.
What is the InChIKey of 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one?
The InChIKey is CXEXSJQYVZGXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-23-16-12-15(11-14-5-3-2-4-6-14)13-22-18(16)19(25)17(20(23)26)21(27)24-7-9-28-10-8-24/h2-6,12-13,25H,7-11H2,1H3.
What are the key properties of 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one?
7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one has a molecular weight of 379.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 54729993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).