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

C22H24N4O3 — CID 10046038

IUPAC3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4cc(N)ccc4ncc3c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-16-9-13(23)5-6-18(16)24-12-17(21)14-10-19(28-3)20(29-4)11-15(14)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3
InChIKeyHPMJGRNXLORLHD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.86
Rot. Bonds5

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

3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one (PubChem CID 10046038) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one.

Molecular Properties

Compound Name3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
PubChem CID10046038
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4cc(N)ccc4ncc3c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-16-9-13(23)5-6-18(16)24-12-17(21)14-10-19(28-3)20(29-4)11-15(14)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3
InChIKeyHPMJGRNXLORLHD-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

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CID 148201
Genz-644282
CID 10294813
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CID 96932
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
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
N-(4-tert-butylphenyl)-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960308

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one (CID 10046038) is 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one.
What is the SMILES notation for 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The canonical SMILES for 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one is COc1cc2c(=O)n(CCN(C)C)c3c4cc(N)ccc4ncc3c2cc1OC.
What is the InChIKey of 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
The InChIKey is HPMJGRNXLORLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(2)7-8-26-21-16-9-13(23)5-6-18(16)24-12-17(21)14-10-19(28-3)20(29-4)11-15(14)22(26)27/h5-6,9-12H,7-8,23H2,1-4H3.
What are the key properties of 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one?
3-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 3-amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one is sourced from PubChem (CID 10046038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).