5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C28H30N4O3 — CID 10412437

IUPAC5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6n5C)CC4)C(=O)O3)c2c1
InChIInChI=1S/C28H30N4O3/c1-30-21(15-19-5-3-4-6-26(19)30)17-31-13-10-20(11-14-31)32-18-27(35-28(32)33)23-9-12-29-25-8-7-22(34-2)16-24(23)25/h3-9,12,15-16,20,27H,10-11,13-14,17-18H2,1-2H3
InChIKeyBMPKSWZOAVAYOT-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.89
Rot. Bonds5

About 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 10412437) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID10412437
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6n5C)CC4)C(=O)O3)c2c1
InChIInChI=1S/C28H30N4O3/c1-30-21(15-19-5-3-4-6-26(19)30)17-31-13-10-20(11-14-31)32-18-27(35-28(32)33)23-9-12-29-25-8-7-22(34-2)16-24(23)25/h3-9,12,15-16,20,27H,10-11,13-14,17-18H2,1-2H3
InChIKeyBMPKSWZOAVAYOT-UHFFFAOYSA-N
XLogP4.89
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 10412437) is 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6n5C)CC4)C(=O)O3)c2c1.
What is the InChIKey of 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BMPKSWZOAVAYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-30-21(15-19-5-3-4-6-26(19)30)17-31-13-10-20(11-14-31)32-18-27(35-28(32)33)23-9-12-29-25-8-7-22(34-2)16-24(23)25/h3-9,12,15-16,20,27H,10-11,13-14,17-18H2,1-2H3.
What are the key properties of 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 470.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10412437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).