2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C18H13N3O2 — CID 135899276

IUPAC2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2cccc3ccccc23)nc2ncccc12
InChIInChI=1S/C18H13N3O2/c22-18-14-8-4-10-19-17(14)20-16(21-18)11-23-15-9-3-6-12-5-1-2-7-13(12)15/h1-10H,11H2,(H,19,20,21,22)
InChIKeyREOSZHHRCDYFRI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.05
Rot. Bonds3

About 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899276) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899276
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2cccc3ccccc23)nc2ncccc12
InChIInChI=1S/C18H13N3O2/c22-18-14-8-4-10-19-17(14)20-16(21-18)11-23-15-9-3-6-12-5-1-2-7-13(12)15/h1-10H,11H2,(H,19,20,21,22)
InChIKeyREOSZHHRCDYFRI-UHFFFAOYSA-N
XLogP3.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899274
2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899195
2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899320
2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 136926494
4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 137211979
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
CID 139086197
5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135419005
2-(2-phenylethenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137175854
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
CID 135460544
2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136721366

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899276) is 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COc2cccc3ccccc23)nc2ncccc12.
What is the InChIKey of 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is REOSZHHRCDYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18-14-8-4-10-19-17(14)20-16(21-18)11-23-15-9-3-6-12-5-1-2-7-13(12)15/h1-10H,11H2,(H,19,20,21,22).
What are the key properties of 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).