3-quinolin-3-yl-1H-quinazoline-2,4-dione

C17H11N3O2 — CID 17221486

IUPAC3-quinolin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cnc2ccccc2c1
InChIInChI=1S/C17H11N3O2/c21-16-13-6-2-4-8-15(13)19-17(22)20(16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H,(H,19,22)
InChIKeyGROXVYMUCYMDAZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.23
Rot. Bonds1

About 3-quinolin-3-yl-1H-quinazoline-2,4-dione

3-quinolin-3-yl-1H-quinazoline-2,4-dione (PubChem CID 17221486) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-quinolin-3-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-quinolin-3-yl-1H-quinazoline-2,4-dione
PubChem CID17221486
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name3-quinolin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cnc2ccccc2c1
InChIInChI=1S/C17H11N3O2/c21-16-13-6-2-4-8-15(13)19-17(22)20(16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H,(H,19,22)
InChIKeyGROXVYMUCYMDAZ-UHFFFAOYSA-N
XLogP2.23
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
9-quinolin-3-ylcarbazole
CID 138984974
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
CID 17221479
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
CID 23119873
3-(2-methoxynaphthalen-1-yl)-1H-quinazoline-2,4-dione
CID 11738646
3-(4-aminophenyl)-1H-1,3-benzodiazepine-2,4,5-trione
CID 102282409
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-quinolin-3-yl-1H-quinazoline-2,4-dione (CID 17221486) is 3-quinolin-3-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-quinolin-3-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-quinolin-3-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1cnc2ccccc2c1.
What is the InChIKey of 3-quinolin-3-yl-1H-quinazoline-2,4-dione?
The InChIKey is GROXVYMUCYMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-13-6-2-4-8-15(13)19-17(22)20(16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H,(H,19,22).
What are the key properties of 3-quinolin-3-yl-1H-quinazoline-2,4-dione?
3-quinolin-3-yl-1H-quinazoline-2,4-dione has a molecular weight of 289.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-3-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 17221486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).