6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one

C14H17ClN2O2 — CID 10779171

IUPAC6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one
SMILESCC(C)/N=c1\oc2ccc(Cl)cc2c(=O)n1C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-8(2)16-14-17(9(3)4)13(18)11-7-10(15)5-6-12(11)19-14/h5-9H,1-4H3/b16-14-
InChIKeyQQXVLYSTDPXCMD-PEZBUJJGSA-N
MW280.75 g/mol
LogP3.14
Rot. Bonds2

About 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one

6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one (PubChem CID 10779171) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one
PubChem CID10779171
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one
SMILESCC(C)/N=c1\oc2ccc(Cl)cc2c(=O)n1C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-8(2)16-14-17(9(3)4)13(18)11-7-10(15)5-6-12(11)19-14/h5-9H,1-4H3/b16-14-
InChIKeyQQXVLYSTDPXCMD-PEZBUJJGSA-N
XLogP3.14
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one?
The IUPAC name of 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one (CID 10779171) is 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one?
The canonical SMILES for 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one is CC(C)/N=c1\oc2ccc(Cl)cc2c(=O)n1C(C)C.
What is the InChIKey of 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one?
The InChIKey is QQXVLYSTDPXCMD-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-8(2)16-14-17(9(3)4)13(18)11-7-10(15)5-6-12(11)19-14/h5-9H,1-4H3/b16-14-.
What are the key properties of 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one?
6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one has a molecular weight of 280.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one is sourced from PubChem (CID 10779171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).