ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate

C13H12ClNO4 — CID 69283882

IUPACethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
SMILESCCOC(=O)C1=C(O)c2cc(Cl)ccc2NC(=O)C1
InChIInChI=1S/C13H12ClNO4/c1-2-19-13(18)9-6-11(16)15-10-4-3-7(14)5-8(10)12(9)17/h3-5,17H,2,6H2,1H3,(H,15,16)
InChIKeyOGAJQLVXLWNPBQ-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.51
Rot. Bonds2

About ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate

ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate (PubChem CID 69283882) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
PubChem CID69283882
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Nameethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
SMILESCCOC(=O)C1=C(O)c2cc(Cl)ccc2NC(=O)C1
InChIInChI=1S/C13H12ClNO4/c1-2-19-13(18)9-6-11(16)15-10-4-3-7(14)5-8(10)12(9)17/h3-5,17H,2,6H2,1H3,(H,15,16)
InChIKeyOGAJQLVXLWNPBQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 161287321
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate
CID 67281073
diethyl (2E)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-oxobutanedioate
CID 71483490
ethyl 7-chloro-1-hydroxy-3-oxospiro[naphthalene-4,4'-oxane]-2-carboxylate
CID 67099777
ethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737686
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2764050
ethyl 4-amino-8-chloro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate
CID 3370267
10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
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ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093124

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate?
The IUPAC name of ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate (CID 69283882) is ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate is CCOC(=O)C1=C(O)c2cc(Cl)ccc2NC(=O)C1.
What is the InChIKey of ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate?
The InChIKey is OGAJQLVXLWNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-2-19-13(18)9-6-11(16)15-10-4-3-7(14)5-8(10)12(9)17/h3-5,17H,2,6H2,1H3,(H,15,16).
What are the key properties of ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate?
ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate has a molecular weight of 281.70 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate is sourced from PubChem (CID 69283882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).