N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine

C27H26N4O — CID 16727673

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine
SMILESc1ccc2c(NCCc3c[nH]c4ccccc34)c3cccc(N4CCOCC4)c3nc2c1
InChIInChI=1S/C27H26N4O/c1-3-9-23-20(6-1)19(18-29-23)12-13-28-26-21-7-2-4-10-24(21)30-27-22(26)8-5-11-25(27)31-14-16-32-17-15-31/h1-11,18,29H,12-17H2,(H,28,30)
InChIKeyQRKLMEWPGLKNRE-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.36
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine

N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine (PubChem CID 16727673) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine
PubChem CID16727673
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine
SMILESc1ccc2c(NCCc3c[nH]c4ccccc34)c3cccc(N4CCOCC4)c3nc2c1
InChIInChI=1S/C27H26N4O/c1-3-9-23-20(6-1)19(18-29-23)12-13-28-26-21-7-2-4-10-24(21)30-27-22(26)8-5-11-25(27)31-14-16-32-17-15-31/h1-11,18,29H,12-17H2,(H,28,30)
InChIKeyQRKLMEWPGLKNRE-UHFFFAOYSA-N
XLogP5.36
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(Morpholinomethyl)indole
CID 21477
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
4'-(1H-indol-3-yl)-1'-methyl-1',4'-dihydro-2,3'-biquinoline
CID 3392688
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 10172517
3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-(isoquinolin-5-yl)pyridine-3,5-diamine
CID 10173098
5-Vinyl-3-pyridinecarbonitrile, 11a
CID 44253664
5-Vinyl-3-pyridinecarbonitrile, 11b
CID 44253795
5-Vinyl-3-pyridinecarbonitrile, 11c
CID 44473008
4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine
CID 46398810
5-[(3-Phenylphenyl)methyl]-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327262
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373
Komarovicine
CID 3632369

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine (CID 16727673) is N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine is c1ccc2c(NCCc3c[nH]c4ccccc34)c3cccc(N4CCOCC4)c3nc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine?
The InChIKey is QRKLMEWPGLKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-3-9-23-20(6-1)19(18-29-23)12-13-28-26-21-7-2-4-10-24(21)30-27-22(26)8-5-11-25(27)31-14-16-32-17-15-31/h1-11,18,29H,12-17H2,(H,28,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine has a molecular weight of 422.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine is sourced from PubChem (CID 16727673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).