6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide

C17H21N3O4 — CID 91639821

IUPAC6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCN3CCOCC3)c(=O)c2c1
InChIInChI=1S/C17H21N3O4/c1-23-12-2-3-15-13(10-12)16(21)14(11-19-15)17(22)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKEJMTKLWVKREQV-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.60
Rot. Bonds5

About 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide

6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 91639821) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID91639821
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCN3CCOCC3)c(=O)c2c1
InChIInChI=1S/C17H21N3O4/c1-23-12-2-3-15-13(10-12)16(21)14(11-19-15)17(22)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKEJMTKLWVKREQV-UHFFFAOYSA-N
XLogP0.60
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95207704
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
2-(difluoromethoxy)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 119045783
2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 44595123

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 91639821) is 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCCN3CCOCC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KEJMTKLWVKREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-12-2-3-15-13(10-12)16(21)14(11-19-15)17(22)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide?
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91639821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).