3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione

C20H19N5O2 — CID 91642463

IUPAC3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H19N5O2/c26-17-13-22-20(27)25(17)12-6-11-21-19-23-16-10-5-4-9-15(16)18(24-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,22,27)(H,21,23,24)
InChIKeyOQPNNVCVHDKMPZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.65
Rot. Bonds6

About 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione

3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione (PubChem CID 91642463) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione
PubChem CID91642463
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H19N5O2/c26-17-13-22-20(27)25(17)12-6-11-21-19-23-16-10-5-4-9-15(16)18(24-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,22,27)(H,21,23,24)
InChIKeyOQPNNVCVHDKMPZ-UHFFFAOYSA-N
XLogP2.65
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione (CID 91642463) is 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCNc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione?
The InChIKey is OQPNNVCVHDKMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-17-13-22-20(27)25(17)12-6-11-21-19-23-16-10-5-4-9-15(16)18(24-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,22,27)(H,21,23,24).
What are the key properties of 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione?
3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91642463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).