(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

C27H21N5O4 — CID 71176740

IUPAC(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
SMILESNOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5cccnc45)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H21N5O4/c28-36-20-11-8-18-14-32(24(33)22(18)13-20)15-27(25(34)30-26(35)31-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-29-23(17)21/h1-13H,14-15,28H2,(H2,30,31,34,35)/t27-/m0/s1
InChIKeyULRVYRKXYRMENJ-MHZLTWQESA-N
MW479.50 g/mol
LogP2.85
Rot. Bonds5

About (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (PubChem CID 71176740) has the molecular formula C27H21N5O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
PubChem CID71176740
Molecular FormulaC27H21N5O4
Molecular Weight479.50 g/mol
Exact Mass479.16
IUPAC Name(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
SMILESNOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5cccnc45)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H21N5O4/c28-36-20-11-8-18-14-32(24(33)22(18)13-20)15-27(25(34)30-26(35)31-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-29-23(17)21/h1-13H,14-15,28H2,(H2,30,31,34,35)/t27-/m0/s1
InChIKeyULRVYRKXYRMENJ-MHZLTWQESA-N
XLogP2.85
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (CID 71176740) is (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is NOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5cccnc45)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is ULRVYRKXYRMENJ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H21N5O4/c28-36-20-11-8-18-14-32(24(33)22(18)13-20)15-27(25(34)30-26(35)31-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-29-23(17)21/h1-13H,14-15,28H2,(H2,30,31,34,35)/t27-/m0/s1.
What are the key properties of (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 479.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71176740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).