N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H29N3O3 — CID 134027214

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CC(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C20H29N3O3/c1-14(2)11-15(23-7-9-26-10-8-23)13-21-20(25)17-12-19(24)22-18-6-4-3-5-16(17)18/h3-6,14-15,17H,7-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyOCIRCJFEMJFNDC-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.98
Rot. Bonds6

About N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134027214) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134027214
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CC(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C20H29N3O3/c1-14(2)11-15(23-7-9-26-10-8-23)13-21-20(25)17-12-19(24)22-18-6-4-3-5-16(17)18/h3-6,14-15,17H,7-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyOCIRCJFEMJFNDC-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134027214) is N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)CC(CNC(=O)C1CC(=O)Nc2ccccc21)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is OCIRCJFEMJFNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)11-15(23-7-9-26-10-8-23)13-21-20(25)17-12-19(24)22-18-6-4-3-5-16(17)18/h3-6,14-15,17H,7-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134027214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).