3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one

C20H20N2O3 — CID 70694169

IUPAC3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyKZWQEZCLUSLPQH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.46
Rot. Bonds3

About 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one

3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one (PubChem CID 70694169) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
PubChem CID70694169
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyKZWQEZCLUSLPQH-UHFFFAOYSA-N
XLogP3.46
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one (CID 70694169) is 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one is Cc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is KZWQEZCLUSLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23).
What are the key properties of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 70694169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).