N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide

C21H21N3O2 — CID 25146342

IUPACN-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide
SMILESCC(C)(C)NC(=O)C1NC(=O)c2ccccc2-c2[nH]c3ccccc3c21
InChIInChI=1S/C21H21N3O2/c1-21(2,3)24-20(26)18-16-14-10-6-7-11-15(14)22-17(16)12-8-4-5-9-13(12)19(25)23-18/h4-11,18,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQHFDVNHJRTZTOT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.53
Rot. Bonds1

About N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide

N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide (PubChem CID 25146342) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide
PubChem CID25146342
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide
SMILESCC(C)(C)NC(=O)C1NC(=O)c2ccccc2-c2[nH]c3ccccc3c21
InChIInChI=1S/C21H21N3O2/c1-21(2,3)24-20(26)18-16-14-10-6-7-11-15(14)22-17(16)12-8-4-5-9-13(12)19(25)23-18/h4-11,18,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQHFDVNHJRTZTOT-UHFFFAOYSA-N
XLogP3.53
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-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

N-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 70041117
5,10-dihydroindeno[1,2-b]indol-10-ol
CID 71552409
N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide
CID 135539284
7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
CID 122223786
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
5H-indeno[1,2-b]indol-10-one
CID 2785776
10-methoxy-5,10-dihydroindeno[1,2-b]indole
CID 15133177
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
CID 171337557
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
(11R,15S)-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,17,19,21-octaene-12,14-dione
CID 100972317

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide?
The IUPAC name of N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide (CID 25146342) is N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide?
The canonical SMILES for N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide is CC(C)(C)NC(=O)C1NC(=O)c2ccccc2-c2[nH]c3ccccc3c21.
What is the InChIKey of N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide?
The InChIKey is QHFDVNHJRTZTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-21(2,3)24-20(26)18-16-14-10-6-7-11-15(14)22-17(16)12-8-4-5-9-13(12)19(25)23-18/h4-11,18,22H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide?
N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide is sourced from PubChem (CID 25146342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).