6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide

C24H30N6O3 — CID 122193458

IUPAC6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide
SMILESCOc1ccc2ncc(C(=O)NN)c(Nc3ccc(NCCCN4CCOCC4)cc3)c2c1
InChIInChI=1S/C24H30N6O3/c1-32-19-7-8-22-20(15-19)23(21(16-27-22)24(31)29-25)28-18-5-3-17(4-6-18)26-9-2-10-30-11-13-33-14-12-30/h3-8,15-16,26H,2,9-14,25H2,1H3,(H,27,28)(H,29,31)
InChIKeyRPFFDWYEPQTHJD-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.72
Rot. Bonds9

About 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide

6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide (PubChem CID 122193458) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide
PubChem CID122193458
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide
SMILESCOc1ccc2ncc(C(=O)NN)c(Nc3ccc(NCCCN4CCOCC4)cc3)c2c1
InChIInChI=1S/C24H30N6O3/c1-32-19-7-8-22-20(15-19)23(21(16-27-22)24(31)29-25)28-18-5-3-17(4-6-18)26-9-2-10-30-11-13-33-14-12-30/h3-8,15-16,26H,2,9-14,25H2,1H3,(H,27,28)(H,29,31)
InChIKeyRPFFDWYEPQTHJD-UHFFFAOYSA-N
XLogP2.72
TPSA113.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(3-morpholin-4-ylpropoxy)anilino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 122193391
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904
6-methoxy-N-(3-morpholin-4-ylpropyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582811
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide?
The IUPAC name of 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide (CID 122193458) is 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide.
What is the SMILES notation for 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide?
The canonical SMILES for 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide is COc1ccc2ncc(C(=O)NN)c(Nc3ccc(NCCCN4CCOCC4)cc3)c2c1.
What is the InChIKey of 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide?
The InChIKey is RPFFDWYEPQTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-32-19-7-8-22-20(15-19)23(21(16-27-22)24(31)29-25)28-18-5-3-17(4-6-18)26-9-2-10-30-11-13-33-14-12-30/h3-8,15-16,26H,2,9-14,25H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide?
6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide has a molecular weight of 450.54 g/mol, XLogP of 2.72, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide is sourced from PubChem (CID 122193458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).