6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione

C24H25N3O3 — CID 52947984

IUPAC6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCCCC[C@@H](N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3/c25-13-6-5-11-19(26)20(28)12-14-27-22-16-8-2-3-9-17(16)23(29)21(22)15-7-1-4-10-18(15)24(27)30/h1-4,7-10,19H,5-6,11-14,25-26H2/t19-/m1/s1
InChIKeyIUPGNOWIDATTPQ-LJQANCHMSA-N
MW403.48 g/mol
LogP2.63
Rot. Bonds8

About 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione

6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 52947984) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID52947984
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCCCC[C@@H](N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3/c25-13-6-5-11-19(26)20(28)12-14-27-22-16-8-2-3-9-17(16)23(29)21(22)15-7-1-4-10-18(15)24(27)30/h1-4,7-10,19H,5-6,11-14,25-26H2/t19-/m1/s1
InChIKeyIUPGNOWIDATTPQ-LJQANCHMSA-N
XLogP2.63
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
CID 90664576
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
(2S)-2-amino-5-(diaminomethylideneamino)-N-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]pentanamide
CID 52947994
6-(3-aminopropyl)-5,11-dioxoindeno[1,2-c]isoquinoline-3-carboxylic acid
CID 71601086
(2S)-2-amino-5-(diaminomethylideneamino)-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]pentanamide
CID 52943138
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
2-amino-N-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]-3-(1H-imidazol-5-yl)propanamide
CID 52943481
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
methyl 4-[[6-(3-aminopropyl)-5,11-dioxoindeno[1,2-c]isoquinolin-3-yl]amino]-4-oxobutanoate
CID 71546518
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 52947984) is 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione is NCCCC[C@@H](N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is IUPGNOWIDATTPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N3O3/c25-13-6-5-11-19(26)20(28)12-14-27-22-16-8-2-3-9-17(16)23(29)21(22)15-7-1-4-10-18(15)24(27)30/h1-4,7-10,19H,5-6,11-14,25-26H2/t19-/m1/s1.
What are the key properties of 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 403.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 52947984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).