2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one

C10H10Cl2N2O2 — CID 82233007

IUPAC2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one
SMILESNCCC1Oc2c(Cl)cc(Cl)cc2NC1=O
InChIInChI=1S/C10H10Cl2N2O2/c11-5-3-6(12)9-7(4-5)14-10(15)8(16-9)1-2-13/h3-4,8H,1-2,13H2,(H,14,15)
InChIKeyPCPIQDNOBVSIBW-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.04
Rot. Bonds2

About 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one

2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one (PubChem CID 82233007) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one
PubChem CID82233007
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one
SMILESNCCC1Oc2c(Cl)cc(Cl)cc2NC1=O
InChIInChI=1S/C10H10Cl2N2O2/c11-5-3-6(12)9-7(4-5)14-10(15)8(16-9)1-2-13/h3-4,8H,1-2,13H2,(H,14,15)
InChIKeyPCPIQDNOBVSIBW-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
CID 131282881
2-(2-aminoethyl)-8-fluoro-4H-1,4-benzoxazin-3-one
CID 82230571
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
6-chloro-2-ethyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
CID 14771575
2-(2-aminoethyl)-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231668
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
6-amino-8-chloro-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231889
6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
8-chloro-2-ethyl-4H-1,4-benzoxazin-3-one
CID 75480493
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid
CID 40507985
2-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one
CID 141475665
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one (CID 82233007) is 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one is NCCC1Oc2c(Cl)cc(Cl)cc2NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one?
The InChIKey is PCPIQDNOBVSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-5-3-6(12)9-7(4-5)14-10(15)8(16-9)1-2-13/h3-4,8H,1-2,13H2,(H,14,15).
What are the key properties of 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one?
2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one has a molecular weight of 261.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82233007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).