6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid

C18H17NO4 — CID 19591893

IUPAC6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid
SMILESCOC(=O)CC1Nc2ccc(C(=O)O)cc2Cc2ccccc21
InChIInChI=1S/C18H17NO4/c1-23-17(20)10-16-14-5-3-2-4-11(14)8-13-9-12(18(21)22)6-7-15(13)19-16/h2-7,9,16,19H,8,10H2,1H3,(H,21,22)
InChIKeyLBELDDGRINDXIO-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.01
Rot. Bonds3

About 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid

6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid (PubChem CID 19591893) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid
PubChem CID19591893
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid
SMILESCOC(=O)CC1Nc2ccc(C(=O)O)cc2Cc2ccccc21
InChIInChI=1S/C18H17NO4/c1-23-17(20)10-16-14-5-3-2-4-11(14)8-13-9-12(18(21)22)6-7-15(13)19-16/h2-7,9,16,19H,8,10H2,1H3,(H,21,22)
InChIKeyLBELDDGRINDXIO-UHFFFAOYSA-N
XLogP3.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid with MolForge

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Related Compounds

methyl 2-(2-bromo-6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)acetate
CID 19591908
methyl 2-[2-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl]acetate
CID 54204980
2-(2-methoxy-2-oxoethyl)-3-oxo-4-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 54406449
4-(2-methoxyethyl)-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 10936604
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
methyl 2-(11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-yl)acetate
CID 122393480
(2R)-2-(2-methoxy-2-oxoethyl)-4-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 59054800
4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
CID 154740041
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione
CID 3687478
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid?
The IUPAC name of 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid (CID 19591893) is 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid?
The canonical SMILES for 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid is COC(=O)CC1Nc2ccc(C(=O)O)cc2Cc2ccccc21.
What is the InChIKey of 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid?
The InChIKey is LBELDDGRINDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-23-17(20)10-16-14-5-3-2-4-11(14)8-13-9-12(18(21)22)6-7-15(13)19-16/h2-7,9,16,19H,8,10H2,1H3,(H,21,22).
What are the key properties of 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid?
6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid is sourced from PubChem (CID 19591893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).