4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline

C10H11ClF2N2S — CID 142062256

IUPAC4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline
SMILESCCSc1nc(Cl)c2c(n1)C(F)(F)CCC2
InChIInChI=1S/C10H11ClF2N2S/c1-2-16-9-14-7-6(8(11)15-9)4-3-5-10(7,12)13/h2-5H2,1H3
InChIKeyKMPLZYQQNWZZOT-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline

4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline (PubChem CID 142062256) has the molecular formula C10H11ClF2N2S and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline
PubChem CID142062256
Molecular FormulaC10H11ClF2N2S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline
SMILESCCSc1nc(Cl)c2c(n1)C(F)(F)CCC2
InChIInChI=1S/C10H11ClF2N2S/c1-2-16-9-14-7-6(8(11)15-9)4-3-5-10(7,12)13/h2-5H2,1H3
InChIKeyKMPLZYQQNWZZOT-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 9550059
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
CID 13707820
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CID 12602864
2,4-Dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
CID 14145430
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-Methyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 2948688
4-Methyl-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
CID 6460358
4-Chloro-6,6-difluoro-2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline
CID 155820886
4-Chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 19383098
4-Chloro-5-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 83399147
5-Sec-butyl-4-chloro-2-methylthio-6-trifluoromethylpyrimidine
CID 86627615
5-Sec-butyl-4-chloro-2-methylsulfonyl-6-trifluoromethylpyrimidine
CID 86627616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline?
The IUPAC name of 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline (CID 142062256) is 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline.
What is the SMILES notation for 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline?
The canonical SMILES for 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline is CCSc1nc(Cl)c2c(n1)C(F)(F)CCC2.
What is the InChIKey of 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline?
The InChIKey is KMPLZYQQNWZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2S/c1-2-16-9-14-7-6(8(11)15-9)4-3-5-10(7,12)13/h2-5H2,1H3.
What are the key properties of 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline?
4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline has a molecular weight of 264.73 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylsulfanyl-8,8-difluoro-6,7-dihydro-5H-quinazoline is sourced from PubChem (CID 142062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).