7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one

C13H14FN3O — CID 172702324

IUPAC7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(NC3CCCC3)cc(F)c12
InChIInChI=1S/C13H14FN3O/c14-10-5-9(17-8-3-1-2-4-8)6-11-12(10)13(18)16-7-15-11/h5-8,17H,1-4H2,(H,15,16,18)
InChIKeyDCXAJHYXQUQMRB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.42
Rot. Bonds2

About 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one

7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one (PubChem CID 172702324) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one
PubChem CID172702324
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(NC3CCCC3)cc(F)c12
InChIInChI=1S/C13H14FN3O/c14-10-5-9(17-8-3-1-2-4-8)6-11-12(10)13(18)16-7-15-11/h5-8,17H,1-4H2,(H,15,16,18)
InChIKeyDCXAJHYXQUQMRB-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one?
The IUPAC name of 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one (CID 172702324) is 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one is O=c1[nH]cnc2cc(NC3CCCC3)cc(F)c12.
What is the InChIKey of 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one?
The InChIKey is DCXAJHYXQUQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-5-9(17-8-3-1-2-4-8)6-11-12(10)13(18)16-7-15-11/h5-8,17H,1-4H2,(H,15,16,18).
What are the key properties of 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one?
7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one has a molecular weight of 247.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 172702324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).