6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one

C19H13Cl2N3O2 — CID 66854333

IUPAC6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one
SMILESCc1cc(Cl)cc2c(=O)oc(-c3cnn(C)c3-c3ccccc3Cl)nc12
InChIInChI=1S/C19H13Cl2N3O2/c1-10-7-11(20)8-13-16(10)23-18(26-19(13)25)14-9-22-24(2)17(14)12-5-3-4-6-15(12)21/h3-9H,1-2H3
InChIKeyBNVWVSZQJSSYQX-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.87
Rot. Bonds2

About 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one

6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one (PubChem CID 66854333) has the molecular formula C19H13Cl2N3O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one
PubChem CID66854333
Molecular FormulaC19H13Cl2N3O2
Molecular Weight386.24 g/mol
Exact Mass385.04
IUPAC Name6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one
SMILESCc1cc(Cl)cc2c(=O)oc(-c3cnn(C)c3-c3ccccc3Cl)nc12
InChIInChI=1S/C19H13Cl2N3O2/c1-10-7-11(20)8-13-16(10)23-18(26-19(13)25)14-9-22-24(2)17(14)12-5-3-4-6-15(12)21/h3-9H,1-2H3
InChIKeyBNVWVSZQJSSYQX-UHFFFAOYSA-N
XLogP4.87
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one (CID 66854333) is 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one is Cc1cc(Cl)cc2c(=O)oc(-c3cnn(C)c3-c3ccccc3Cl)nc12.
What is the InChIKey of 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one?
The InChIKey is BNVWVSZQJSSYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2/c1-10-7-11(20)8-13-16(10)23-18(26-19(13)25)14-9-22-24(2)17(14)12-5-3-4-6-15(12)21/h3-9H,1-2H3.
What are the key properties of 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one?
6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one has a molecular weight of 386.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 66854333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).