3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one

C18H14N2O2 — CID 3270644

IUPAC3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one
SMILESCc1ccc2cccc(NC3OC(=O)c4ccccc43)c2n1
InChIInChI=1S/C18H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17-13-6-2-3-7-14(13)18(21)22-17/h2-10,17,20H,1H3
InChIKeyYLSVGZZXFDPHIK-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.82
Rot. Bonds2

About 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one

3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one (PubChem CID 3270644) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one
PubChem CID3270644
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one
SMILESCc1ccc2cccc(NC3OC(=O)c4ccccc43)c2n1
InChIInChI=1S/C18H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17-13-6-2-3-7-14(13)18(21)22-17/h2-10,17,20H,1H3
InChIKeyYLSVGZZXFDPHIK-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one (CID 3270644) is 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one is Cc1ccc2cccc(NC3OC(=O)c4ccccc43)c2n1.
What is the InChIKey of 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one?
The InChIKey is YLSVGZZXFDPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17-13-6-2-3-7-14(13)18(21)22-17/h2-10,17,20H,1H3.
What are the key properties of 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one?
3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-8-yl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).