6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione

C14H11N3O3 — CID 117261312

IUPAC6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(-c3cccnc3)c(=O)c2c1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-5-12-11(7-10)13(18)17(14(19)16-12)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,19)
InChIKeyHYTWDCCVNYWYMC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.08
Rot. Bonds2

About 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione

6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione (PubChem CID 117261312) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
PubChem CID117261312
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(-c3cccnc3)c(=O)c2c1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-5-12-11(7-10)13(18)17(14(19)16-12)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,19)
InChIKeyHYTWDCCVNYWYMC-UHFFFAOYSA-N
XLogP1.08
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
8-methoxy-3-(pyridin-3-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one
CID 914353
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
6-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203073
5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 67466297
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione
CID 170772816
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
CID 117261447
5-methoxy-2-pyridin-3-ylindazole
CID 121320237

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione (CID 117261312) is 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(-c3cccnc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione?
The InChIKey is HYTWDCCVNYWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-10-4-5-12-11(7-10)13(18)17(14(19)16-12)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,19).
What are the key properties of 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione?
6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).