5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one

C22H23N3O3 — CID 171645852

IUPAC5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(Oc2ccnc3ccc(N4CC(CN)OC4=O)cc23)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-3-15-4-7-20(14(2)10-15)28-21-8-9-24-19-6-5-16(11-18(19)21)25-13-17(12-23)27-22(25)26/h4-11,17H,3,12-13,23H2,1-2H3
InChIKeyFHBPENNZKONBIL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.18
Rot. Bonds5

About 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one (PubChem CID 171645852) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one
PubChem CID171645852
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(Oc2ccnc3ccc(N4CC(CN)OC4=O)cc23)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-3-15-4-7-20(14(2)10-15)28-21-8-9-24-19-6-5-16(11-18(19)21)25-13-17(12-23)27-22(25)26/h4-11,17H,3,12-13,23H2,1-2H3
InChIKeyFHBPENNZKONBIL-UHFFFAOYSA-N
XLogP4.18
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one (CID 171645852) is 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one is CCc1ccc(Oc2ccnc3ccc(N4CC(CN)OC4=O)cc23)c(C)c1.
What is the InChIKey of 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is FHBPENNZKONBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-15-4-7-20(14(2)10-15)28-21-8-9-24-19-6-5-16(11-18(19)21)25-13-17(12-23)27-22(25)26/h4-11,17H,3,12-13,23H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171645852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).