propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate

C20H18N2O3 — CID 44818785

IUPACpropyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate
SMILESCCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3
InChIInChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)
InChIKeyZZAOHJAZKRMYHI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.90
Rot. Bonds3

About propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate

propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate (PubChem CID 44818785) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate.

Molecular Properties

Compound Namepropyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate
PubChem CID44818785
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namepropyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate
SMILESCCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3
InChIInChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)
InChIKeyZZAOHJAZKRMYHI-UHFFFAOYSA-N
XLogP3.90
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate?
The IUPAC name of propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate (CID 44818785) is propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate.
What is the SMILES notation for propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate?
The canonical SMILES for propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate is CCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3.
What is the InChIKey of propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate?
The InChIKey is ZZAOHJAZKRMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23).
What are the key properties of propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate?
propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate is sourced from PubChem (CID 44818785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).