6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one

C16H8Cl2N2O2 — CID 137253999

IUPAC6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c[nH]c3ccc(Cl)cc23)nc2ccc(Cl)cc12
InChIInChI=1S/C16H8Cl2N2O2/c17-8-1-3-13-10(5-8)12(7-19-13)15-20-14-4-2-9(18)6-11(14)16(21)22-15/h1-7,19H
InChIKeyDXBJLOLNCPDGQN-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.64
Rot. Bonds1

About 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one

6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one (PubChem CID 137253999) has the molecular formula C16H8Cl2N2O2 and a molecular weight of 331.16 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
PubChem CID137253999
Molecular FormulaC16H8Cl2N2O2
Molecular Weight331.16 g/mol
Exact Mass330.00
IUPAC Name6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c[nH]c3ccc(Cl)cc23)nc2ccc(Cl)cc12
InChIInChI=1S/C16H8Cl2N2O2/c17-8-1-3-13-10(5-8)12(7-19-13)15-20-14-4-2-9(18)6-11(14)16(21)22-15/h1-7,19H
InChIKeyDXBJLOLNCPDGQN-UHFFFAOYSA-N
XLogP4.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
CID 2732636
6-chloro-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 2191162
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 23630817
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one (CID 137253999) is 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2c[nH]c3ccc(Cl)cc23)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one?
The InChIKey is DXBJLOLNCPDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O2/c17-8-1-3-13-10(5-8)12(7-19-13)15-20-14-4-2-9(18)6-11(14)16(21)22-15/h1-7,19H.
What are the key properties of 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one?
6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one has a molecular weight of 331.16 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 137253999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).