N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide

C22H29N5O3 — CID 10692973

IUPACN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3[nH]c12
InChIInChI=1S/C22H29N5O3/c1-26(2)11-9-23-18-8-6-15(22(30)24-10-12-27(3)4)20-19(18)21(29)16-13-14(28)5-7-17(16)25-20/h5-8,13,23,28H,9-12H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyIRZLOKVYNCZLGT-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10692973) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
PubChem CID10692973
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3[nH]c12
InChIInChI=1S/C22H29N5O3/c1-26(2)11-9-23-18-8-6-15(22(30)24-10-12-27(3)4)20-19(18)21(29)16-13-14(28)5-7-17(16)25-20/h5-8,13,23,28H,9-12H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyIRZLOKVYNCZLGT-UHFFFAOYSA-N
XLogP1.65
TPSA100.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 399641
2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-9-methoxy-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione hydrochloride
CID 392062
15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 392572
15-[2-(Dimethylamino)ethyl]-5-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 392573
1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 10876566
1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
CID 11125645
15-[2-(Dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 11170329
2-[4-(4-Fluoro-benzyl)-piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
CID 11509163
6-hydroxy-2-[4-(4-methyl-benzyl)-piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11538083
2-(4-Benzyl-piperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
CID 11653435
15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 392064
15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide
CID 10077287

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide (CID 10692973) is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide is CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is IRZLOKVYNCZLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-26(2)11-9-23-18-8-6-15(22(30)24-10-12-27(3)4)20-19(18)21(29)16-13-14(28)5-7-17(16)25-20/h5-8,13,23,28H,9-12H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).