3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one

C17H12N2O2 — CID 3152836

IUPAC3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc3ncccc3c2)c2ccccc21
InChIInChI=1S/C17H12N2O2/c20-17-14-6-2-1-5-13(14)16(21-17)19-12-7-8-15-11(10-12)4-3-9-18-15/h1-10,16,19H
InChIKeyGTEDHMHLVXBEGM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.52
Rot. Bonds2

About 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one

3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one (PubChem CID 3152836) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one
PubChem CID3152836
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc3ncccc3c2)c2ccccc21
InChIInChI=1S/C17H12N2O2/c20-17-14-6-2-1-5-13(14)16(21-17)19-12-7-8-15-11(10-12)4-3-9-18-15/h1-10,16,19H
InChIKeyGTEDHMHLVXBEGM-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one (CID 3152836) is 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one is O=C1OC(Nc2ccc3ncccc3c2)c2ccccc21.
What is the InChIKey of 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is GTEDHMHLVXBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17-14-6-2-1-5-13(14)16(21-17)19-12-7-8-15-11(10-12)4-3-9-18-15/h1-10,16,19H.
What are the key properties of 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one?
3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 276.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).