3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid

C23H26N4O4 — CID 102280735

IUPAC3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid
SMILESO=C(O)CCNc1c2ccccc2nc2c(C(=O)NCCN3CCOCC3)cccc12
InChIInChI=1S/C23H26N4O4/c28-20(29)8-9-24-21-16-4-1-2-7-19(16)26-22-17(21)5-3-6-18(22)23(30)25-10-11-27-12-14-31-15-13-27/h1-7H,8-15H2,(H,24,26)(H,25,30)(H,28,29)
InChIKeyYYVQBMHDFYHHTH-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.34
Rot. Bonds8

About 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid

3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid (PubChem CID 102280735) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid
PubChem CID102280735
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid
SMILESO=C(O)CCNc1c2ccccc2nc2c(C(=O)NCCN3CCOCC3)cccc12
InChIInChI=1S/C23H26N4O4/c28-20(29)8-9-24-21-16-4-1-2-7-19(16)26-22-17(21)5-3-6-18(22)23(30)25-10-11-27-12-14-31-15-13-27/h1-7H,8-15H2,(H,24,26)(H,25,30)(H,28,29)
InChIKeyYYVQBMHDFYHHTH-UHFFFAOYSA-N
XLogP2.34
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
CID 58189588
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4576754
N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
CID 140822101
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid?
The IUPAC name of 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid (CID 102280735) is 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid is O=C(O)CCNc1c2ccccc2nc2c(C(=O)NCCN3CCOCC3)cccc12.
What is the InChIKey of 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid?
The InChIKey is YYVQBMHDFYHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-20(29)8-9-24-21-16-4-1-2-7-19(16)26-22-17(21)5-3-6-18(22)23(30)25-10-11-27-12-14-31-15-13-27/h1-7H,8-15H2,(H,24,26)(H,25,30)(H,28,29).
What are the key properties of 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid?
3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid has a molecular weight of 422.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid is sourced from PubChem (CID 102280735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).