4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid

C23H26N4O3 — CID 122193473

IUPAC4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O3/c28-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-18-8-6-17(7-9-18)24-10-3-11-27-12-14-30-15-13-27/h1-2,4-9,16,24H,3,10-15H2,(H,25,26)(H,28,29)
InChIKeyPRDZDGBVCDSYFW-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.81
Rot. Bonds8

About 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid

4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid (PubChem CID 122193473) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid
PubChem CID122193473
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O3/c28-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-18-8-6-17(7-9-18)24-10-3-11-27-12-14-30-15-13-27/h1-2,4-9,16,24H,3,10-15H2,(H,25,26)(H,28,29)
InChIKeyPRDZDGBVCDSYFW-UHFFFAOYSA-N
XLogP3.81
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid (CID 122193473) is 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid?
The InChIKey is PRDZDGBVCDSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-18-8-6-17(7-9-18)24-10-3-11-27-12-14-30-15-13-27/h1-2,4-9,16,24H,3,10-15H2,(H,25,26)(H,28,29).
What are the key properties of 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid?
4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid has a molecular weight of 406.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylic acid is sourced from PubChem (CID 122193473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).