3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione

C16H18ClN5O2 — CID 167200226

IUPAC3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H18ClN5O2/c17-11-4-5-12-13(8-11)20-10-21-15(12)18-6-2-1-3-7-22-14(23)9-19-16(22)24/h4-5,8,10H,1-3,6-7,9H2,(H,19,24)(H,18,20,21)
InChIKeyWYXIMCFDGPBJJC-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.42
Rot. Bonds7

About 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione

3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione (PubChem CID 167200226) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
PubChem CID167200226
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H18ClN5O2/c17-11-4-5-12-13(8-11)20-10-21-15(12)18-6-2-1-3-7-22-14(23)9-19-16(22)24/h4-5,8,10H,1-3,6-7,9H2,(H,19,24)(H,18,20,21)
InChIKeyWYXIMCFDGPBJJC-UHFFFAOYSA-N
XLogP2.42
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.42
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-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione (CID 167200226) is 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCCCNc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione?
The InChIKey is WYXIMCFDGPBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c17-11-4-5-12-13(8-11)20-10-21-15(12)18-6-2-1-3-7-22-14(23)9-19-16(22)24/h4-5,8,10H,1-3,6-7,9H2,(H,19,24)(H,18,20,21).
What are the key properties of 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione?
3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione has a molecular weight of 347.81 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167200226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).