6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one

C18H16N4O2 — CID 169413711

IUPAC6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
SMILESCn1nnc2c3c(ccc21)C(c1ccc2c(c1)CCO2)CC(=O)N3
InChIInChI=1S/C18H16N4O2/c1-22-14-4-3-12-13(9-16(23)19-17(12)18(14)20-21-22)10-2-5-15-11(8-10)6-7-24-15/h2-5,8,13H,6-7,9H2,1H3,(H,19,23)
InChIKeyYHLSZBKMHDJYCF-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.38
Rot. Bonds1

About 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one

6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one (PubChem CID 169413711) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
PubChem CID169413711
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
SMILESCn1nnc2c3c(ccc21)C(c1ccc2c(c1)CCO2)CC(=O)N3
InChIInChI=1S/C18H16N4O2/c1-22-14-4-3-12-13(9-16(23)19-17(12)18(14)20-21-22)10-2-5-15-11(8-10)6-7-24-15/h2-5,8,13H,6-7,9H2,1H3,(H,19,23)
InChIKeyYHLSZBKMHDJYCF-UHFFFAOYSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one with MolForge

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Related Compounds

6-(6-methoxy-2-pyridinyl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 171908591
4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169418395
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid
CID 171339292
(4S)-4-(1-methylbenzotriazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136737688
7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one
CID 143519855
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
12-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-3-[(3-fluorophenyl)methyl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-one
CID 122170203
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116978273

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one (CID 169413711) is 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one is Cn1nnc2c3c(ccc21)C(c1ccc2c(c1)CCO2)CC(=O)N3.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one?
The InChIKey is YHLSZBKMHDJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-14-4-3-12-13(9-16(23)19-17(12)18(14)20-21-22)10-2-5-15-11(8-10)6-7-24-15/h2-5,8,13H,6-7,9H2,1H3,(H,19,23).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one?
6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one has a molecular weight of 320.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one is sourced from PubChem (CID 169413711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).