4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide

C20H21N3O3 — CID 5309868

IUPAC4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C20H21N3O3/c1-13-15-12-17(26-19(15)14-6-2-3-7-16(14)22-13)20(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25)
InChIKeyJSSPKCLHUXUMFK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.03
Rot. Bonds5

About 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide

4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide (PubChem CID 5309868) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
PubChem CID5309868
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C20H21N3O3/c1-13-15-12-17(26-19(15)14-6-2-3-7-16(14)22-13)20(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25)
InChIKeyJSSPKCLHUXUMFK-UHFFFAOYSA-N
XLogP3.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide (CID 5309868) is 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide is Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12.
What is the InChIKey of 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide?
The InChIKey is JSSPKCLHUXUMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-15-12-17(26-19(15)14-6-2-3-7-16(14)22-13)20(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25).
What are the key properties of 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide?
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5309868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).