N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide

C21H22N2O2 — CID 122378955

IUPACN-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide
SMILESCC(C)(C)NC(=O)C12Cc3ccccc3CN1C(=O)c1ccccc12
InChIInChI=1S/C21H22N2O2/c1-20(2,3)22-19(25)21-12-14-8-4-5-9-15(14)13-23(21)18(24)16-10-6-7-11-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyFYMPPWWDFNWFBV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.01
Rot. Bonds1

About N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide

N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide (PubChem CID 122378955) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide
PubChem CID122378955
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide
SMILESCC(C)(C)NC(=O)C12Cc3ccccc3CN1C(=O)c1ccccc12
InChIInChI=1S/C21H22N2O2/c1-20(2,3)22-19(25)21-12-14-8-4-5-9-15(14)13-23(21)18(24)16-10-6-7-11-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyFYMPPWWDFNWFBV-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-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

(2Z)-2-benzylidene-N-tert-butyl-7-methoxy-3-oxo-1,5-dihydropyrrolo[2,1-a]isoindole-9b-carboxamide
CID 122383037
dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
CID 11269719
1-(3-oxo-1H-isoindol-2-yl)cyclopropane-1-carboxylic acid
CID 166000582
(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide
CID 134956473
N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide
CID 175516713
12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 100952357
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
10-methyl-8-methylidene-6-oxa-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,11,13,15-pentaen-17-one
CID 15417705
N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
CID 90618714
N-[(1R)-1-[1-(tert-butylcarbamoyl)-5-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 122678354
(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 100629638
2-[1-(2-chloropropanoyl)cyclohexa-2,4-dien-1-yl]-3H-isoindol-1-one
CID 150801813

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide?
The IUPAC name of N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide (CID 122378955) is N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide.
What is the SMILES notation for N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide?
The canonical SMILES for N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide is CC(C)(C)NC(=O)C12Cc3ccccc3CN1C(=O)c1ccccc12.
What is the InChIKey of N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide?
The InChIKey is FYMPPWWDFNWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-20(2,3)22-19(25)21-12-14-8-4-5-9-15(14)13-23(21)18(24)16-10-6-7-11-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide?
N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide is sourced from PubChem (CID 122378955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).