6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one

C17H16N4O2 — CID 39199500

IUPAC6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1cccn2c(CN)c(-c3ccc4c(c3)NC(=O)CO4)nc12
InChIInChI=1S/C17H16N4O2/c1-10-3-2-6-21-13(8-18)16(20-17(10)21)11-4-5-14-12(7-11)19-15(22)9-23-14/h2-7H,8-9,18H2,1H3,(H,19,22)
InChIKeyIWHWYVHTOMMUBQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.10
Rot. Bonds2

About 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one

6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 39199500) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
PubChem CID39199500
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1cccn2c(CN)c(-c3ccc4c(c3)NC(=O)CO4)nc12
InChIInChI=1S/C17H16N4O2/c1-10-3-2-6-21-13(8-18)16(20-17(10)21)11-4-5-14-12(7-11)19-15(22)9-23-14/h2-7H,8-9,18H2,1H3,(H,19,22)
InChIKeyIWHWYVHTOMMUBQ-UHFFFAOYSA-N
XLogP2.10
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 10085761
6-[5-(aminomethyl)-1-ethylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 84761603
6-[5-(3-chlorophenyl)-2H-triazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 10215193
6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 56641349
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
6-(5-amino-4-bromo-1-methylpyrazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 84605322
6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
CID 42918979
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
6-[3-(2-aminoethyl)-1,2-oxazol-5-yl]-4H-1,4-benzoxazin-3-one
CID 82483845
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 56641613
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one (CID 39199500) is 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one is Cc1cccn2c(CN)c(-c3ccc4c(c3)NC(=O)CO4)nc12.
What is the InChIKey of 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is IWHWYVHTOMMUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-3-2-6-21-13(8-18)16(20-17(10)21)11-4-5-14-12(7-11)19-15(22)9-23-14/h2-7H,8-9,18H2,1H3,(H,19,22).
What are the key properties of 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one?
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 39199500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).