N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine

C20H16N8 — CID 67535197

IUPACN-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccc4cccnc4c3)nc3ccccn23)n1
InChIInChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-8-7-13-5-4-9-22-15(13)11-14/h2-11,25H,1H3,(H2,21,23,24,27)
InChIKeyHEVFJNSHEIITJA-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.37
Rot. Bonds3

About N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine

N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine (PubChem CID 67535197) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine
PubChem CID67535197
Molecular FormulaC20H16N8
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC NameN-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccc4cccnc4c3)nc3ccccn23)n1
InChIInChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-8-7-13-5-4-9-22-15(13)11-14/h2-11,25H,1H3,(H2,21,23,24,27)
InChIKeyHEVFJNSHEIITJA-UHFFFAOYSA-N
XLogP3.37
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine?
The IUPAC name of N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine (CID 67535197) is N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine.
What is the SMILES notation for N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine?
The canonical SMILES for N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine is Cc1nc(N)nc(-c2c(Nc3ccc4cccnc4c3)nc3ccccn23)n1.
What is the InChIKey of N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine?
The InChIKey is HEVFJNSHEIITJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-8-7-13-5-4-9-22-15(13)11-14/h2-11,25H,1H3,(H2,21,23,24,27).
What are the key properties of N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine?
N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine has a molecular weight of 368.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]quinolin-7-amine is sourced from PubChem (CID 67535197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).