3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C16H17N3O3 — CID 163661743

IUPAC3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1c(O)cnc2ccccc12
InChIInChI=1S/C16H17N3O3/c20-13-9-17-12-6-2-1-5-11(12)15(13)16(22)18-10-14(21)19-7-3-4-8-19/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,18,22)
InChIKeyIVADQDMWQPNHHC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.29
Rot. Bonds3

About 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 163661743) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID163661743
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1c(O)cnc2ccccc12
InChIInChI=1S/C16H17N3O3/c20-13-9-17-12-6-2-1-5-11(12)15(13)16(22)18-10-14(21)19-7-3-4-8-19/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,18,22)
InChIKeyIVADQDMWQPNHHC-UHFFFAOYSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 163661743) is 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCC(=O)N1CCCC1)c1c(O)cnc2ccccc12.
What is the InChIKey of 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is IVADQDMWQPNHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-13-9-17-12-6-2-1-5-11(12)15(13)16(22)18-10-14(21)19-7-3-4-8-19/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,18,22).
What are the key properties of 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 163661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).