2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one

C22H24N4O3 — CID 10363113

IUPAC2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccc(N)cc4ncc3c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-14-6-5-13(23)9-18(14)24-12-17(21)15-10-19(28-3)20(29-4)11-16(15)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3
InChIKeyZQZUTLHKODWHQW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one

2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one (PubChem CID 10363113) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
PubChem CID10363113
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccc(N)cc4ncc3c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-14-6-5-13(23)9-18(14)24-12-17(21)15-10-19(28-3)20(29-4)11-16(15)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3
InChIKeyZQZUTLHKODWHQW-UHFFFAOYSA-N
XLogP2.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tariquidar
CID 148201
Genz-644282
CID 10294813
Papaveraldine
CID 96932
Cct251236
CID 117996749
N-(5-(2,3-dihydrobenzo(b)(1,4)dioxine-6-carboxamido)-2-fluorophenyl)-2-((4-ethylpiperazin-1-yl)methyl)quinoline-6-carboxamide
CID 117996795
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
CID 117996541
CID 117996541
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]quinoline-6-carboxamide
CID 117996828
Arc-111
CID 9888428
21-(2-Hydroxyethyl)-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 22139503
13-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzo[h][1,3]benzodioxolo[5,6-c][2,6]naphthyridin-12(13H)-one
CID 22256570
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24849200

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The IUPAC name of 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one (CID 10363113) is 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one is COc1cc2c(=O)n(CCN(C)C)c3c4ccc(N)cc4ncc3c2cc1OC.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The InChIKey is ZQZUTLHKODWHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-14-6-5-13(23)9-18(14)24-12-17(21)15-10-19(28-3)20(29-4)11-16(15)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3.
What are the key properties of 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one has a molecular weight of 392.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one is sourced from PubChem (CID 10363113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).