7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide

C18H19BrNO4+ — CID 163527869

IUPAC7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide
SMILESCOc1cc(Br)c2c3c1[OH+]C1CC(=O)C=CC31CCC(C(N)=O)C2
InChIInChI=1S/C18H18BrNO4/c1-23-13-8-12(19)11-6-9(17(20)22)2-4-18-5-3-10(21)7-14(18)24-16(13)15(11)18/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,20,22)/p+1
InChIKeyDQIFEFHURVQAHY-UHFFFAOYSA-O
MW393.26 g/mol
LogP2.29
Rot. Bonds2

About 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide

7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide (PubChem CID 163527869) has the molecular formula C18H19BrNO4+ and a molecular weight of 393.26 g/mol. Its IUPAC name is 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide.

Molecular Properties

Compound Name7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide
PubChem CID163527869
Molecular FormulaC18H19BrNO4+
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide
SMILESCOc1cc(Br)c2c3c1[OH+]C1CC(=O)C=CC31CCC(C(N)=O)C2
InChIInChI=1S/C18H18BrNO4/c1-23-13-8-12(19)11-6-9(17(20)22)2-4-18-5-3-10(21)7-14(18)24-16(13)15(11)18/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,20,22)/p+1
InChIKeyDQIFEFHURVQAHY-UHFFFAOYSA-O
XLogP2.29
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R,12R)-7-bromo-9-methoxy-14-oxo-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-5-carboxamide
CID 101222571
(4'S,5S)-9-bromo-7-methoxy-4',6-dimethyl-6'-oxospiro[3,4-dihydro-1H-2-benzazepine-5,3'-cyclohexene]-2-carbaldehyde
CID 89221072
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
7-bromo-8-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carbaldehyde
CID 45039380
(1R,9S)-6-bromo-3-hydroxy-4,12-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
CID 53241849
methyl (1S,6R)-1-methyl-4-oxo-6-pent-4-enylcyclohex-2-ene-1-carboxylate
CID 11390720
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213
(4R,4aR,6S,7aR,12bS)-11-bromo-3-(cyclopropylmethyl)-9-methoxy-6-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 70547914
methyl 3'-bromo-2'-methoxy-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylate
CID 67280329
(1S,10R)-5-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-12-one
CID 122391296
(4R,4aS,6S,7aR,12bS)-6,11-dibromo-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 10027810

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide?
The IUPAC name of 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide (CID 163527869) is 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide.
What is the SMILES notation for 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide?
The canonical SMILES for 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide is COc1cc(Br)c2c3c1[OH+]C1CC(=O)C=CC31CCC(C(N)=O)C2.
What is the InChIKey of 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide?
The InChIKey is DQIFEFHURVQAHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18BrNO4/c1-23-13-8-12(19)11-6-9(17(20)22)2-4-18-5-3-10(21)7-14(18)24-16(13)15(11)18/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,20,22)/p+1.
What are the key properties of 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide?
7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-methoxy-14-oxo-11-oxoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carboxamide is sourced from PubChem (CID 163527869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).