8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide

C20H21N3O3 — CID 176988507

IUPAC8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide
SMILESCNC(=O)c1cc2ccc(C3CCC3)c(C(=O)NC34CC3C4)c2[nH]c1=O
InChIInChI=1S/C20H21N3O3/c1-21-17(24)14-7-11-5-6-13(10-3-2-4-10)15(16(11)22-18(14)25)19(26)23-20-8-12(20)9-20/h5-7,10,12H,2-4,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWRRHGRMGFBPDQD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.05
Rot. Bonds4

About 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide

8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide (PubChem CID 176988507) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide
PubChem CID176988507
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide
SMILESCNC(=O)c1cc2ccc(C3CCC3)c(C(=O)NC34CC3C4)c2[nH]c1=O
InChIInChI=1S/C20H21N3O3/c1-21-17(24)14-7-11-5-6-13(10-3-2-4-10)15(16(11)22-18(14)25)19(26)23-20-8-12(20)9-20/h5-7,10,12H,2-4,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWRRHGRMGFBPDQD-UHFFFAOYSA-N
XLogP2.05
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide?
The IUPAC name of 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide (CID 176988507) is 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide.
What is the SMILES notation for 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide?
The canonical SMILES for 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide is CNC(=O)c1cc2ccc(C3CCC3)c(C(=O)NC34CC3C4)c2[nH]c1=O.
What is the InChIKey of 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide?
The InChIKey is WRRHGRMGFBPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-21-17(24)14-7-11-5-6-13(10-3-2-4-10)15(16(11)22-18(14)25)19(26)23-20-8-12(20)9-20/h5-7,10,12H,2-4,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide?
8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1-bicyclo[1.1.0]butanyl)-7-cyclobutyl-3-N-methyl-2-oxo-1H-quinoline-3,8-dicarboxamide is sourced from PubChem (CID 176988507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).