6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one

C17H15ClN4O2 — CID 39199460

IUPAC6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3nc4ccc(Cl)cn4c3CN)cc21
InChIInChI=1S/C17H15ClN4O2/c1-21-12-6-10(2-4-14(12)24-9-16(21)23)17-13(7-19)22-8-11(18)3-5-15(22)20-17/h2-6,8H,7,9,19H2,1H3
InChIKeyFQADDUBADJMLMO-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.47
Rot. Bonds2

About 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one

6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 39199460) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID39199460
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3nc4ccc(Cl)cn4c3CN)cc21
InChIInChI=1S/C17H15ClN4O2/c1-21-12-6-10(2-4-14(12)24-9-16(21)23)17-13(7-19)22-8-11(18)3-5-15(22)20-17/h2-6,8H,7,9,19H2,1H3
InChIKeyFQADDUBADJMLMO-UHFFFAOYSA-N
XLogP2.47
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[3-(aminomethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199464
6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 110311656
[6-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199144
4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
CID 95967035
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
CID 96667520
6-(6-amino-8-methylimidazo[1,2-a]pyridin-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 93206340
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
6-[3-aminopropyl(methyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 82499032

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one (CID 39199460) is 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(-c3nc4ccc(Cl)cn4c3CN)cc21.
What is the InChIKey of 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is FQADDUBADJMLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21-12-6-10(2-4-14(12)24-9-16(21)23)17-13(7-19)22-8-11(18)3-5-15(22)20-17/h2-6,8H,7,9,19H2,1H3.
What are the key properties of 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 342.79 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 39199460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).