1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone

C19H25N3O2 — CID 97128561

IUPAC1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2nc(N(C)C[C@H]3CCN(C(C)=O)C3)c(C)cc2c1
InChIInChI=1S/C19H25N3O2/c1-13-9-16-10-17(24-4)5-6-18(16)20-19(13)21(3)11-15-7-8-22(12-15)14(2)23/h5-6,9-10,15H,7-8,11-12H2,1-4H3/t15-/m1/s1
InChIKeyXDCKJFKSLCWXMS-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 97128561) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID97128561
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2nc(N(C)C[C@H]3CCN(C(C)=O)C3)c(C)cc2c1
InChIInChI=1S/C19H25N3O2/c1-13-9-16-10-17(24-4)5-6-18(16)20-19(13)21(3)11-15-7-8-22(12-15)14(2)23/h5-6,9-10,15H,7-8,11-12H2,1-4H3/t15-/m1/s1
InChIKeyXDCKJFKSLCWXMS-OAHLLOKOSA-N
XLogP2.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone (CID 97128561) is 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone is COc1ccc2nc(N(C)C[C@H]3CCN(C(C)=O)C3)c(C)cc2c1.
What is the InChIKey of 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is XDCKJFKSLCWXMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-9-16-10-17(24-4)5-6-18(16)20-19(13)21(3)11-15-7-8-22(12-15)14(2)23/h5-6,9-10,15H,7-8,11-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[(6-methoxy-3-methylquinolin-2-yl)-methylamino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97128561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).