(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one

C17H21N3O3 — CID 68839809

IUPAC(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
SMILESCNCCCN1C[C@@H](c2ccnc3ccc(OC)cc23)OC1=O
InChIInChI=1S/C17H21N3O3/c1-18-7-3-9-20-11-16(23-17(20)21)13-6-8-19-15-5-4-12(22-2)10-14(13)15/h4-6,8,10,16,18H,3,7,9,11H2,1-2H3/t16-/m0/s1
InChIKeyABMPXMKWZMOJKW-INIZCTEOSA-N
MW315.37 g/mol
LogP2.35
Rot. Bonds6

About (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one

(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one (PubChem CID 68839809) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
PubChem CID68839809
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
SMILESCNCCCN1C[C@@H](c2ccnc3ccc(OC)cc23)OC1=O
InChIInChI=1S/C17H21N3O3/c1-18-7-3-9-20-11-16(23-17(20)21)13-6-8-19-15-5-4-12(22-2)10-14(13)15/h4-6,8,10,16,18H,3,7,9,11H2,1-2H3/t16-/m0/s1
InChIKeyABMPXMKWZMOJKW-INIZCTEOSA-N
XLogP2.35
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[3-[(5R)-5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-3-oxo-4,5-dihydro-1,5-benzothiazepine-7-sulfonamide
CID 91276864
(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
CID 10026715
(3R,7S,8R,10S,15R,19S,20R,22S)-7,19-bis(6-methoxyquinolin-4-yl)-6,18-dioxa-1,13-diazapentacyclo[18.4.0.03,22.08,13.010,15]tetracosane-5,17-dione
CID 10556451
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
4-(3-methoxyphenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978630
(3R,5S,6R)-3-ethyl-5-(6-methoxyquinolin-4-yl)-4-oxa-1-azatricyclo[4.4.0.03,8]decane
CID 135027298
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
6-methoxyquinoline-4-sulfonic acid
CID 119093175
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
[2-heptyl-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]urea
CID 70203600

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one (CID 68839809) is (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one is CNCCCN1C[C@@H](c2ccnc3ccc(OC)cc23)OC1=O.
What is the InChIKey of (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The InChIKey is ABMPXMKWZMOJKW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-7-3-9-20-11-16(23-17(20)21)13-6-8-19-15-5-4-12(22-2)10-14(13)15/h4-6,8,10,16,18H,3,7,9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
(5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(6-methoxyquinolin-4-yl)-3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68839809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).