4-cyclopentylsulfanyl-6-fluoroquinazoline

C13H13FN2S — CID 129024670

IUPAC4-cyclopentylsulfanyl-6-fluoroquinazoline
SMILESFc1ccc2ncnc(SC3CCCC3)c2c1
InChIInChI=1S/C13H13FN2S/c14-9-5-6-12-11(7-9)13(16-8-15-12)17-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyQIMLMMQPGUDWOI-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.80
Rot. Bonds2

About 4-cyclopentylsulfanyl-6-fluoroquinazoline

4-cyclopentylsulfanyl-6-fluoroquinazoline (PubChem CID 129024670) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-6-fluoroquinazoline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-6-fluoroquinazoline
PubChem CID129024670
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name4-cyclopentylsulfanyl-6-fluoroquinazoline
SMILESFc1ccc2ncnc(SC3CCCC3)c2c1
InChIInChI=1S/C13H13FN2S/c14-9-5-6-12-11(7-9)13(16-8-15-12)17-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyQIMLMMQPGUDWOI-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylsulfanyl-6-fluoroquinazoline
CID 129024661
4-cyclopentylsulfanylquinazoline
CID 7160394
6-fluoro-4-pyridin-4-ylsulfanylquinazoline
CID 130258037
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 133429829
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 133428030
6-fluoro-4-piperidin-3-ylquinazoline
CID 105489378
4-cyclohexylsulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430245
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-6-fluoroquinazoline?
The IUPAC name of 4-cyclopentylsulfanyl-6-fluoroquinazoline (CID 129024670) is 4-cyclopentylsulfanyl-6-fluoroquinazoline.
What is the SMILES notation for 4-cyclopentylsulfanyl-6-fluoroquinazoline?
The canonical SMILES for 4-cyclopentylsulfanyl-6-fluoroquinazoline is Fc1ccc2ncnc(SC3CCCC3)c2c1.
What is the InChIKey of 4-cyclopentylsulfanyl-6-fluoroquinazoline?
The InChIKey is QIMLMMQPGUDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-9-5-6-12-11(7-9)13(16-8-15-12)17-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 4-cyclopentylsulfanyl-6-fluoroquinazoline?
4-cyclopentylsulfanyl-6-fluoroquinazoline has a molecular weight of 248.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-6-fluoroquinazoline is sourced from PubChem (CID 129024670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).