8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide

C18H23N3O3 — CID 3217711

IUPAC8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCCCN3CCOCC3)c[nH]c12
InChIInChI=1S/C18H23N3O3/c1-13-4-2-5-14-16(13)20-12-15(17(14)22)18(23)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,23)(H,20,22)
InChIKeyWYSFPTPLULCFEB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.29
Rot. Bonds5

About 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide

8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217711) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217711
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCCCN3CCOCC3)c[nH]c12
InChIInChI=1S/C18H23N3O3/c1-13-4-2-5-14-16(13)20-12-15(17(14)22)18(23)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,23)(H,20,22)
InChIKeyWYSFPTPLULCFEB-UHFFFAOYSA-N
XLogP1.29
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3217711) is 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1cccc2c(=O)c(C(=O)NCCCN3CCOCC3)c[nH]c12.
What is the InChIKey of 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WYSFPTPLULCFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-2-5-14-16(13)20-12-15(17(14)22)18(23)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).