7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one

C21H13N3O2 — CID 155922268

IUPAC7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one
SMILESO=C1C=CN=C2N=C(c3ccco3)C(c3ccc4ncccc4c3)=CC12
InChIInChI=1S/C21H13N3O2/c25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-12,16H
InChIKeyMVWADYFZQNDYPW-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.83
Rot. Bonds2

About 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one

7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one (PubChem CID 155922268) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one
PubChem CID155922268
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one
SMILESO=C1C=CN=C2N=C(c3ccco3)C(c3ccc4ncccc4c3)=CC12
InChIInChI=1S/C21H13N3O2/c25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-12,16H
InChIKeyMVWADYFZQNDYPW-UHFFFAOYSA-N
XLogP3.83
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one?
The IUPAC name of 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one (CID 155922268) is 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one is O=C1C=CN=C2N=C(c3ccco3)C(c3ccc4ncccc4c3)=CC12.
What is the InChIKey of 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one?
The InChIKey is MVWADYFZQNDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-12,16H.
What are the key properties of 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one?
7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one has a molecular weight of 339.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one is sourced from PubChem (CID 155922268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).