1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid

C37H51N5O6 — CID 157472806

IUPAC1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid
SMILESC.CCCCCN.CCCCCNC(=O)Cc1cnc2ccccc2c1.O=C(O)Cc1cnc2ccccc2c1.O=C1CCC(=O)N1O
InChIInChI=1S/C16H20N2O.C11H9NO2.C5H13N.C4H5NO3.CH4/c1-2-3-6-9-17-16(19)11-13-10-14-7-4-5-8-15(14)18-12-13;13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8;1-2-3-4-5-6;6-3-1-2-4(7)5(3)8;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19);1-5,7H,6H2,(H,13,14);2-6H2,1H3;8H,1-2H2;1H4
InChIKeyBVFYDEUIYKXURQ-UHFFFAOYSA-N
MW661.84 g/mol
LogP6.24
Rot. Bonds11

About 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid

1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid (PubChem CID 157472806) has the molecular formula C37H51N5O6 and a molecular weight of 661.84 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid
PubChem CID157472806
Molecular FormulaC37H51N5O6
Molecular Weight661.84 g/mol
Exact Mass661.38
IUPAC Name1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid
SMILESC.CCCCCN.CCCCCNC(=O)Cc1cnc2ccccc2c1.O=C(O)Cc1cnc2ccccc2c1.O=C1CCC(=O)N1O
InChIInChI=1S/C16H20N2O.C11H9NO2.C5H13N.C4H5NO3.CH4/c1-2-3-6-9-17-16(19)11-13-10-14-7-4-5-8-15(14)18-12-13;13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8;1-2-3-4-5-6;6-3-1-2-4(7)5(3)8;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19);1-5,7H,6H2,(H,13,14);2-6H2,1H3;8H,1-2H2;1H4
InChIKeyBVFYDEUIYKXURQ-UHFFFAOYSA-N
XLogP6.24
TPSA175.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.84
LogP ≤ 56.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid (CID 157472806) is 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid is C.CCCCCN.CCCCCNC(=O)Cc1cnc2ccccc2c1.O=C(O)Cc1cnc2ccccc2c1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid?
The InChIKey is BVFYDEUIYKXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C11H9NO2.C5H13N.C4H5NO3.CH4/c1-2-3-6-9-17-16(19)11-13-10-14-7-4-5-8-15(14)18-12-13;13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8;1-2-3-4-5-6;6-3-1-2-4(7)5(3)8;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19);1-5,7H,6H2,(H,13,14);2-6H2,1H3;8H,1-2H2;1H4.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid?
1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid has a molecular weight of 661.84 g/mol, XLogP of 6.24, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;methane;pentan-1-amine;N-pentyl-2-quinolin-3-ylacetamide;2-quinolin-3-ylacetic acid is sourced from PubChem (CID 157472806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).