2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline

C17H20N2S — CID 15994077

IUPAC2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCCCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C17H20N2S/c1-2-12-20-17-14-10-6-7-11-15(14)18-16(19-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKeyGWXZSTQIIDCLAA-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.52
Rot. Bonds4

About 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline

2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 15994077) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
PubChem CID15994077
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCCCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C17H20N2S/c1-2-12-20-17-14-10-6-7-11-15(14)18-16(19-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKeyGWXZSTQIIDCLAA-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline (CID 15994077) is 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline is CCCSc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GWXZSTQIIDCLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-12-20-17-14-10-6-7-11-15(14)18-16(19-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3.
What are the key properties of 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline?
2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 284.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 15994077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).