5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C18H13N3O3 — CID 155817119

IUPAC5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc2cc(-c3ccnc4[nH]c(=O)[nH]c(=O)c34)ccc2c1
InChIInChI=1S/C18H13N3O3/c1-24-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-16-15(14)17(22)21-18(23)20-16/h2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyGQNNZNLSXQIECW-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.44
Rot. Bonds2

About 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 155817119) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID155817119
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc2cc(-c3ccnc4[nH]c(=O)[nH]c(=O)c34)ccc2c1
InChIInChI=1S/C18H13N3O3/c1-24-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-16-15(14)17(22)21-18(23)20-16/h2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyGQNNZNLSXQIECW-UHFFFAOYSA-N
XLogP2.44
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one
CID 69199837
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
5-(4-methoxyphenyl)-2-(1-sulfanylpropyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 175434148
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
CID 116900649
7-(4-methoxy-2-pyridinyl)-1H-quinolin-2-one
CID 18667592
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
3-(6-methoxynaphthalen-2-yl)-N-methylpyrazin-2-amine
CID 115914330
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-methoxy-3-[[3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]phenyl]sulfanylmethyl]-1H-quinolin-2-one
CID 175666037
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 175666045

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 155817119) is 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc2cc(-c3ccnc4[nH]c(=O)[nH]c(=O)c34)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GQNNZNLSXQIECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-24-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-16-15(14)17(22)21-18(23)20-16/h2-9H,1H3,(H2,19,20,21,22,23).
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 319.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155817119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).