3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one

C23H20N4O2 — CID 649670

IUPAC3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1
InChIInChI=1S/C23H20N4O2/c1-14-5-6-19-16(10-14)12-18(23(28)25-19)21-22(24-13-17-4-3-9-29-17)27-8-7-15(2)11-20(27)26-21/h3-12,24H,13H2,1-2H3,(H,25,28)
InChIKeyYKFYLMFDHXWGDC-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.66
Rot. Bonds4

About 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one

3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one (PubChem CID 649670) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one
PubChem CID649670
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1
InChIInChI=1S/C23H20N4O2/c1-14-5-6-19-16(10-14)12-18(23(28)25-19)21-22(24-13-17-4-3-9-29-17)27-8-7-15(2)11-20(27)26-21/h3-12,24H,13H2,1-2H3,(H,25,28)
InChIKeyYKFYLMFDHXWGDC-UHFFFAOYSA-N
XLogP4.66
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one (CID 649670) is 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1.
What is the InChIKey of 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one?
The InChIKey is YKFYLMFDHXWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-5-6-19-16(10-14)12-18(23(28)25-19)21-22(24-13-17-4-3-9-29-17)27-8-7-15(2)11-20(27)26-21/h3-12,24H,13H2,1-2H3,(H,25,28).
What are the key properties of 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one?
3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one has a molecular weight of 384.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 649670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).