3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C25H17N5O2 — CID 137438145

IUPAC3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ncc[nH]4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H17N5O2/c1-14-4-7-21(32-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(24-27-9-10-28-24)25(31)30-23(17)29-22/h2-13H,1H3,(H,27,28)(H,29,30,31)
InChIKeyXCOMFWSSBRYERZ-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.10
Rot. Bonds3

About 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438145) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438145
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ncc[nH]4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H17N5O2/c1-14-4-7-21(32-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(24-27-9-10-28-24)25(31)30-23(17)29-22/h2-13H,1H3,(H,27,28)(H,29,30,31)
InChIKeyXCOMFWSSBRYERZ-UHFFFAOYSA-N
XLogP5.10
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438145) is 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4ncc[nH]4)cc3cc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is XCOMFWSSBRYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c1-14-4-7-21(32-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(24-27-9-10-28-24)25(31)30-23(17)29-22/h2-13H,1H3,(H,27,28)(H,29,30,31).
What are the key properties of 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 419.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).