N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide

C28H19N5O3 — CID 154656460

IUPACN-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide
SMILESCc1ccc(-c2nc3[nH]cc(NC(=O)c4ccccc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C28H19N5O3/c1-16-9-12-22(36-16)24-23(19-10-11-20-18(14-19)8-5-13-29-20)32-25-26(34)21(15-30-27(25)33-24)31-28(35)17-6-3-2-4-7-17/h2-15H,1H3,(H,31,35)(H,30,33,34)
InChIKeyGDGDVPJKBXMMLV-UHFFFAOYSA-N
MW473.49 g/mol
LogP5.35
Rot. Bonds4

About N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide

N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 154656460) has the molecular formula C28H19N5O3 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound NameN-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide
PubChem CID154656460
Molecular FormulaC28H19N5O3
Molecular Weight473.49 g/mol
Exact Mass473.15
IUPAC NameN-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide
SMILESCc1ccc(-c2nc3[nH]cc(NC(=O)c4ccccc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C28H19N5O3/c1-16-9-12-22(36-16)24-23(19-10-11-20-18(14-19)8-5-13-29-20)32-25-26(34)21(15-30-27(25)33-24)31-28(35)17-6-3-2-4-7-17/h2-15H,1H3,(H,31,35)(H,30,33,34)
InChIKeyGDGDVPJKBXMMLV-UHFFFAOYSA-N
XLogP5.35
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide?
The IUPAC name of N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide (CID 154656460) is N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide?
The canonical SMILES for N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide is Cc1ccc(-c2nc3[nH]cc(NC(=O)c4ccccc4)c(=O)c3nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide?
The InChIKey is GDGDVPJKBXMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O3/c1-16-9-12-22(36-16)24-23(19-10-11-20-18(14-19)8-5-13-29-20)32-25-26(34)21(15-30-27(25)33-24)31-28(35)17-6-3-2-4-7-17/h2-15H,1H3,(H,31,35)(H,30,33,34).
What are the key properties of N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide?
N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 473.49 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 154656460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).