6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

C18H26Cl2N2O3 — CID 174382414

IUPAC6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCCCCCC(CC)C1Oc2c(C(N)=O)cc(Cl)cc2N(C)C1=O.Cl
InChIInChI=1S/C18H25ClN2O3.ClH/c1-4-6-7-8-11(5-2)15-18(23)21(3)14-10-12(19)9-13(17(20)22)16(14)24-15;/h9-11,15H,4-8H2,1-3H3,(H2,20,22);1H
InChIKeyQWBYHMGPRUUCTI-UHFFFAOYSA-N
MW389.32 g/mol
LogP4.19
Rot. Bonds7

About 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 174382414) has the molecular formula C18H26Cl2N2O3 and a molecular weight of 389.32 g/mol. Its IUPAC name is 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID174382414
Molecular FormulaC18H26Cl2N2O3
Molecular Weight389.32 g/mol
Exact Mass388.13
IUPAC Name6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCCCCCC(CC)C1Oc2c(C(N)=O)cc(Cl)cc2N(C)C1=O.Cl
InChIInChI=1S/C18H25ClN2O3.ClH/c1-4-6-7-8-11(5-2)15-18(23)21(3)14-10-12(19)9-13(17(20)22)16(14)24-15;/h9-11,15H,4-8H2,1-3H3,(H2,20,22);1H
InChIKeyQWBYHMGPRUUCTI-UHFFFAOYSA-N
XLogP4.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 174382414) is 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride is CCCCCC(CC)C1Oc2c(C(N)=O)cc(Cl)cc2N(C)C1=O.Cl.
What is the InChIKey of 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is QWBYHMGPRUUCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3.ClH/c1-4-6-7-8-11(5-2)15-18(23)21(3)14-10-12(19)9-13(17(20)22)16(14)24-15;/h9-11,15H,4-8H2,1-3H3,(H2,20,22);1H.
What are the key properties of 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 389.32 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2-octan-3-yl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 174382414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).