6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one

C23H16ClN3O2 — CID 137439058

IUPAC6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)o1
InChIInChI=1S/C23H16ClN3O2/c1-12-5-7-25-21-15(12)9-14(10-18(21)24)16-11-17-19(28)6-8-26-23(17)27-22(16)20-4-3-13(2)29-20/h3-11H,1-2H3,(H,26,27,28)
InChIKeyGZNLIJZXUWNSIM-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.67
Rot. Bonds2

About 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one

6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137439058) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137439058
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)o1
InChIInChI=1S/C23H16ClN3O2/c1-12-5-7-25-21-15(12)9-14(10-18(21)24)16-11-17-19(28)6-8-26-23(17)27-22(16)20-4-3-13(2)29-20/h3-11H,1-2H3,(H,26,27,28)
InChIKeyGZNLIJZXUWNSIM-UHFFFAOYSA-N
XLogP5.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one (CID 137439058) is 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)o1.
What is the InChIKey of 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is GZNLIJZXUWNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-12-5-7-25-21-15(12)9-14(10-18(21)24)16-11-17-19(28)6-8-26-23(17)27-22(16)20-4-3-13(2)29-20/h3-11H,1-2H3,(H,26,27,28).
What are the key properties of 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 401.85 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-4-methylquinolin-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137439058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).