6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride

C16H13ClN3O2- — CID 53350664

IUPAC6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride
SMILESCc1ccn2cc(-c3ccc4c(c3)NC(=O)CO4)nc2c1.[Cl-]
InChIInChI=1S/C16H13N3O2.ClH/c1-10-4-5-19-8-13(17-15(19)6-10)11-2-3-14-12(7-11)18-16(20)9-21-14;/h2-8H,9H2,1H3,(H,18,20);1H/p-1
InChIKeyLHJBVQODJBCRIK-UHFFFAOYSA-M
MW314.75 g/mol
LogP-0.36
Rot. Bonds1

About 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride

6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride (PubChem CID 53350664) has the molecular formula C16H13ClN3O2- and a molecular weight of 314.75 g/mol. Its IUPAC name is 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride.

Molecular Properties

Compound Name6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride
PubChem CID53350664
Molecular FormulaC16H13ClN3O2-
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride
SMILESCc1ccn2cc(-c3ccc4c(c3)NC(=O)CO4)nc2c1.[Cl-]
InChIInChI=1S/C16H13N3O2.ClH/c1-10-4-5-19-8-13(17-15(19)6-10)11-2-3-14-12(7-11)18-16(20)9-21-14;/h2-8H,9H2,1H3,(H,18,20);1H/p-1
InChIKeyLHJBVQODJBCRIK-UHFFFAOYSA-M
XLogP-0.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
6-[8-(4-pyrrolidin-1-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 134376937
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
7-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 868213
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 123979277
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 59473582
6-[4-bromo-3-(dimethylamino)-1H-pyrazol-5-yl]-4H-1,4-benzoxazin-3-one
CID 116826059
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371348

Frequently Asked Questions

What is the IUPAC name of 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride?
The IUPAC name of 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride (CID 53350664) is 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride.
What is the SMILES notation for 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride?
The canonical SMILES for 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride is Cc1ccn2cc(-c3ccc4c(c3)NC(=O)CO4)nc2c1.[Cl-].
What is the InChIKey of 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride?
The InChIKey is LHJBVQODJBCRIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O2.ClH/c1-10-4-5-19-8-13(17-15(19)6-10)11-2-3-14-12(7-11)18-16(20)9-21-14;/h2-8H,9H2,1H3,(H,18,20);1H/p-1.
What are the key properties of 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride?
6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride has a molecular weight of 314.75 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride is sourced from PubChem (CID 53350664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).