1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone

C20H16N2O3 — CID 11537281

IUPAC1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone
SMILESCOc1ccc2c(Nc3ccc(C(C)=O)cc3)c3ccoc3nc2c1
InChIInChI=1S/C20H16N2O3/c1-12(23)13-3-5-14(6-4-13)21-19-16-8-7-15(24-2)11-18(16)22-20-17(19)9-10-25-20/h3-11H,1-2H3,(H,21,22)
InChIKeyWDUROPLTLATKGN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.94
Rot. Bonds4

About 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone

1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone (PubChem CID 11537281) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone
PubChem CID11537281
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone
SMILESCOc1ccc2c(Nc3ccc(C(C)=O)cc3)c3ccoc3nc2c1
InChIInChI=1S/C20H16N2O3/c1-12(23)13-3-5-14(6-4-13)21-19-16-8-7-15(24-2)11-18(16)22-20-17(19)9-10-25-20/h3-11H,1-2H3,(H,21,22)
InChIKeyWDUROPLTLATKGN-UHFFFAOYSA-N
XLogP4.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone (CID 11537281) is 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone is COc1ccc2c(Nc3ccc(C(C)=O)cc3)c3ccoc3nc2c1.
What is the InChIKey of 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is WDUROPLTLATKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12(23)13-3-5-14(6-4-13)21-19-16-8-7-15(24-2)11-18(16)22-20-17(19)9-10-25-20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone?
1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 332.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 11537281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).