3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

C28H29N7O2 — CID 154657178

IUPAC3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(NCCN4CCN(C)CC4)cc3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C28H29N7O2/c1-18-5-8-24(37-18)26-25(20-6-7-21-19(16-20)4-3-9-29-21)31-22-17-23(28(36)33-27(22)32-26)30-10-11-35-14-12-34(2)13-15-35/h3-9,16-17,30H,10-15H2,1-2H3,(H,32,33,36)
InChIKeyIUOFGJCWXCEJPJ-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.76
Rot. Bonds6

About 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657178) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657178
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(NCCN4CCN(C)CC4)cc3nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C28H29N7O2/c1-18-5-8-24(37-18)26-25(20-6-7-21-19(16-20)4-3-9-29-21)31-22-17-23(28(36)33-27(22)32-26)30-10-11-35-14-12-34(2)13-15-35/h3-9,16-17,30H,10-15H2,1-2H3,(H,32,33,36)
InChIKeyIUOFGJCWXCEJPJ-UHFFFAOYSA-N
XLogP3.76
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657178) is 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1ccc(-c2nc3[nH]c(=O)c(NCCN4CCN(C)CC4)cc3nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is IUOFGJCWXCEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-18-5-8-24(37-18)26-25(20-6-7-21-19(16-20)4-3-9-29-21)31-22-17-23(28(36)33-27(22)32-26)30-10-11-35-14-12-34(2)13-15-35/h3-9,16-17,30H,10-15H2,1-2H3,(H,32,33,36).
What are the key properties of 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 495.59 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).