(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione

C24H21N5O5 — CID 46200411

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CN(C)C(=O)N4)NC(=O)NC1=O)C2
InChIInChI=1S/C24H21N5O5/c1-28-11-16-9-14(3-6-19(16)25-23(28)33)7-8-24(21(31)26-22(32)27-24)13-29-12-15-4-5-17(34-2)10-18(15)20(29)30/h3-6,9-10H,11-13H2,1-2H3,(H,25,33)(H2,26,27,31,32)/t24-/m1/s1
InChIKeyWWACVARGRGARLP-XMMPIXPASA-N
MW459.46 g/mol
LogP1.26
Rot. Bonds3

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 46200411) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione
PubChem CID46200411
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CN(C)C(=O)N4)NC(=O)NC1=O)C2
InChIInChI=1S/C24H21N5O5/c1-28-11-16-9-14(3-6-19(16)25-23(28)33)7-8-24(21(31)26-22(32)27-24)13-29-12-15-4-5-17(34-2)10-18(15)20(29)30/h3-6,9-10H,11-13H2,1-2H3,(H,25,33)(H2,26,27,31,32)/t24-/m1/s1
InChIKeyWWACVARGRGARLP-XMMPIXPASA-N
XLogP1.26
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione (CID 46200411) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CN(C)C(=O)N4)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is WWACVARGRGARLP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N5O5/c1-28-11-16-9-14(3-6-19(16)25-23(28)33)7-8-24(21(31)26-22(32)27-24)13-29-12-15-4-5-17(34-2)10-18(15)20(29)30/h3-6,9-10H,11-13H2,1-2H3,(H,25,33)(H2,26,27,31,32)/t24-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 459.46 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).