2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione

C18H20N2O4 — CID 67003258

IUPAC2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3
InChIKeyQCVQVXYSZCEMSH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione

2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 67003258) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
PubChem CID67003258
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3
InChIKeyQCVQVXYSZCEMSH-UHFFFAOYSA-N
XLogP2.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]-6-phenoxybenzo[de]isoquinoline-1,3-dione
CID 102447581
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808807
7,18-bis[3-(dimethylamino)propyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 3555371
15-[2-[2-aminoethyl(methyl)amino]ethyl]-10-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;methane;10-methoxy-15-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 158773704
10-amino-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 11724386
10-(dimethylamino)-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10570585
N,N'-bis[2-[2-(10-methoxy-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethyl-methylamino]ethyl]octanediamide
CID 59322872
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(10-methoxy-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethyl-methylamino]ethyl]butanamide
CID 59322879
2-[2-(dimethylamino)ethyl]-5,7-dimethoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448963
2-[2-(dimethylamino)ethyl]-6-[3-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]benzo[de]isoquinoline-1,3-dione
CID 171354623
11-[2-(dimethylamino)ethyl]-4,5-bis(trifluoromethyl)-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione
CID 11070485
2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
CID 155341943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione (CID 67003258) is 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione is COc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is QCVQVXYSZCEMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 67003258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).