N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide

C28H28N4O — CID 11517741

IUPACN,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C28H28N4O/c1-3-32(4-2)28(33)19-13-14-23-26(17-19)31-25-12-8-6-10-22(25)27(23)29-16-15-20-18-30-24-11-7-5-9-21(20)24/h5-14,17-18,30H,3-4,15-16H2,1-2H3,(H,29,31)
InChIKeyAQOIQRMMKJHQDJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.01
Rot. Bonds7

About N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide

N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide (PubChem CID 11517741) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide
PubChem CID11517741
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC NameN,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C28H28N4O/c1-3-32(4-2)28(33)19-13-14-23-26(17-19)31-25-12-8-6-10-22(25)27(23)29-16-15-20-18-30-24-11-7-5-9-21(20)24/h5-14,17-18,30H,3-4,15-16H2,1-2H3,(H,29,31)
InChIKeyAQOIQRMMKJHQDJ-UHFFFAOYSA-N
XLogP6.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109171507
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N,N-diethyl-4-[[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 110995213
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide?
The IUPAC name of N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide (CID 11517741) is N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide is CCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1.
What is the InChIKey of N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide?
The InChIKey is AQOIQRMMKJHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-3-32(4-2)28(33)19-13-14-23-26(17-19)31-25-12-8-6-10-22(25)27(23)29-16-15-20-18-30-24-11-7-5-9-21(20)24/h5-14,17-18,30H,3-4,15-16H2,1-2H3,(H,29,31).
What are the key properties of N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide?
N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide is sourced from PubChem (CID 11517741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).