6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione

C17H18N2O2 — CID 102241953

IUPAC6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESCC(C)N1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-10(2)19-16(20)12-7-5-6-11-14(18(3)4)9-8-13(15(11)12)17(19)21/h5-10H,1-4H3
InChIKeyBKNHBTKYKHSOMU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.91
Rot. Bonds2

About 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione

6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 102241953) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID102241953
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESCC(C)N1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-10(2)19-16(20)12-7-5-6-11-14(18(3)4)9-8-13(15(11)12)17(19)21/h5-10H,1-4H3
InChIKeyBKNHBTKYKHSOMU-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[6-(dimethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]-2-methylbutanoic acid
CID 59398495
6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 805605
11,34-di(propan-2-yl)-11,34-diazahexadecacyclo[22.22.2.22,5.26,9.225,28.229,32.03,20.04,17.07,16.08,13.021,47.026,43.027,40.030,39.031,36.044,48]hexapentaconta-1(47),2,4,6,8,13,15,17,19,21,23,25(52),26(43),27(40),28(51),29(50),30(39),31(36),32(49),37,41,44(48),45,53,55-pentacosaene-10,12,33,35-tetrone
CID 130206612
2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
CID 102499786
7-methyl-22-propan-2-yl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 130206684
2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
CID 102014868
10,21-di(propan-2-yl)-10,21-diazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1,3,5,7,12(24),13,15,17,19(23)-nonaene-9,11,20,22-tetrone
CID 139182083
6-[bis(2-hydroxyethyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 4891328
6-[methyl(3-sulfanylpropyl)amino]-2-(2-sulfanylethyl)benzo[de]isoquinoline-1,3-dione
CID 142469191
N-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-N-methylnitrous amide
CID 132523078
4-ethyl-2-propan-2-ylisoindole-1,3-dione
CID 166113919
2-[(2R)-butan-2-yl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 94831595

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione (CID 102241953) is 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione is CC(C)N1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O.
What is the InChIKey of 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is BKNHBTKYKHSOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10(2)19-16(20)12-7-5-6-11-14(18(3)4)9-8-13(15(11)12)17(19)21/h5-10H,1-4H3.
What are the key properties of 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione?
6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102241953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).