2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one

C10H10Cl2N2O2 — CID 82233013

IUPAC2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(CN)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C10H10Cl2N2O2/c1-14-8-5(11)2-3-6(12)9(8)16-7(4-13)10(14)15/h2-3,7H,4,13H2,1H3
InChIKeyCEGWXERFKLLPGL-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.68
Rot. Bonds1

About 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one

2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82233013) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one
PubChem CID82233013
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(CN)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C10H10Cl2N2O2/c1-14-8-5(11)2-3-6(12)9(8)16-7(4-13)10(14)15/h2-3,7H,4,13H2,1H3
InChIKeyCEGWXERFKLLPGL-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one
CID 10421432
6-bromo-8-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82234205
8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231890
7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one
CID 82497169
2-(2-aminoethyl)-8-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 82233178
(2S)-8-chloro-4-hydroxy-2-propyl-1,4-benzoxazin-3-one
CID 92935743
8-chloro-4-hydroxy-2-propyl-1,4-benzoxazin-3-one
CID 3008088
8-chloro-2-ethyl-4H-1,4-benzoxazin-3-one
CID 75480493
6,7-dichloro-2-propyl-1-benzofuran-3-one
CID 83050001
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one
CID 70418288

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one (CID 82233013) is 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)C(CN)Oc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is CEGWXERFKLLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-14-8-5(11)2-3-6(12)9(8)16-7(4-13)10(14)15/h2-3,7H,4,13H2,1H3.
What are the key properties of 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one?
2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 261.11 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,8-dichloro-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82233013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).