7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one

C19H25FN4OS — CID 138697008

IUPAC7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCCC3)cc(F)c12
InChIInChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25)
InChIKeyYZDTVOCBHYWUNM-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.40
Rot. Bonds5

About 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one

7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one (PubChem CID 138697008) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
PubChem CID138697008
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCCC3)cc(F)c12
InChIInChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25)
InChIKeyYZDTVOCBHYWUNM-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one (CID 138697008) is 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one is O=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCCC3)cc(F)c12.
What is the InChIKey of 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The InChIKey is YZDTVOCBHYWUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25).
What are the key properties of 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one has a molecular weight of 376.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylamino)-5-fluoro-2-(piperidin-4-ylsulfanylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 138697008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).