3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione

C18H22FN5O2 — CID 167200231

IUPAC3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCCNc2ncnc3cc(F)ccc23)C1=O
InChIInChI=1S/C18H22FN5O2/c1-18(2)16(25)24(17(26)23-18)9-5-3-4-8-20-15-13-7-6-12(19)10-14(13)21-11-22-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyNXYPUGRNQUPBOH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.68
Rot. Bonds7

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

3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 167200231) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID167200231
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCCNc2ncnc3cc(F)ccc23)C1=O
InChIInChI=1S/C18H22FN5O2/c1-18(2)16(25)24(17(26)23-18)9-5-3-4-8-20-15-13-7-6-12(19)10-14(13)21-11-22-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyNXYPUGRNQUPBOH-UHFFFAOYSA-N
XLogP2.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.68
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-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione (CID 167200231) is 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCCNc2ncnc3cc(F)ccc23)C1=O.
What is the InChIKey of 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NXYPUGRNQUPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-18(2)16(25)24(17(26)23-18)9-5-3-4-8-20-15-13-7-6-12(19)10-14(13)21-11-22-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,26)(H,20,21,22).
What are the key properties of 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 359.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 167200231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).