6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide

C16H17N3O4 — CID 118414437

IUPAC6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
SMILESCOc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O
InChIInChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyIUEIQDIJUPIDTQ-VIFPVBQESA-N
MW315.33 g/mol
LogP1.00
Rot. Bonds5

About 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide

6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide (PubChem CID 118414437) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
PubChem CID118414437
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
SMILESCOc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O
InChIInChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyIUEIQDIJUPIDTQ-VIFPVBQESA-N
XLogP1.00
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The IUPAC name of 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide (CID 118414437) is 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide.
What is the SMILES notation for 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The canonical SMILES for 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide is COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O.
What is the InChIKey of 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The InChIKey is IUEIQDIJUPIDTQ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1.
What are the key properties of 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide is sourced from PubChem (CID 118414437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).