4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one

C17H13N3O2 — CID 141111536

IUPAC4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one
SMILESCc1cc2ccc(Oc3nc(=O)[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C17H13N3O2/c1-10-8-11-6-7-12(9-15(11)18-10)22-16-13-4-2-3-5-14(13)19-17(21)20-16/h2-9,18H,1H3,(H,19,20,21)
InChIKeyLNXDENWXMQFPFT-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.51
Rot. Bonds2

About 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one

4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one (PubChem CID 141111536) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one
PubChem CID141111536
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one
SMILESCc1cc2ccc(Oc3nc(=O)[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C17H13N3O2/c1-10-8-11-6-7-12(9-15(11)18-10)22-16-13-4-2-3-5-14(13)19-17(21)20-16/h2-9,18H,1H3,(H,19,20,21)
InChIKeyLNXDENWXMQFPFT-UHFFFAOYSA-N
XLogP3.51
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one?
The IUPAC name of 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one (CID 141111536) is 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one.
What is the SMILES notation for 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one?
The canonical SMILES for 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one is Cc1cc2ccc(Oc3nc(=O)[nH]c4ccccc34)cc2[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one?
The InChIKey is LNXDENWXMQFPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-8-11-6-7-12(9-15(11)18-10)22-16-13-4-2-3-5-14(13)19-17(21)20-16/h2-9,18H,1H3,(H,19,20,21).
What are the key properties of 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one?
4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one has a molecular weight of 291.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one is sourced from PubChem (CID 141111536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).