spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]

C18H15N3S — CID 155808482

IUPACspiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
SMILESc1ccc2c(c1)NC1(CCSc3ccccc31)n1nccc1-2
InChIInChI=1S/C18H15N3S/c1-3-7-15-13(5-1)16-9-11-19-21(16)18(20-15)10-12-22-17-8-4-2-6-14(17)18/h1-9,11,20H,10,12H2
InChIKeyNBCMTQMELXGQJS-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.17
Rot. Bonds

About spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]

spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] (PubChem CID 155808482) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline].

Molecular Properties

Compound Namespiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
PubChem CID155808482
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Namespiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
SMILESc1ccc2c(c1)NC1(CCSc3ccccc31)n1nccc1-2
InChIInChI=1S/C18H15N3S/c1-3-7-15-13(5-1)16-9-11-19-21(16)18(20-15)10-12-22-17-8-4-2-6-14(17)18/h1-9,11,20H,10,12H2
InChIKeyNBCMTQMELXGQJS-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The IUPAC name of spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] (CID 155808482) is spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline].
What is the SMILES notation for spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The canonical SMILES for spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] is c1ccc2c(c1)NC1(CCSc3ccccc31)n1nccc1-2.
What is the InChIKey of spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The InChIKey is NBCMTQMELXGQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-3-7-15-13(5-1)16-9-11-19-21(16)18(20-15)10-12-22-17-8-4-2-6-14(17)18/h1-9,11,20H,10,12H2.
What are the key properties of spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] has a molecular weight of 305.41 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] is sourced from PubChem (CID 155808482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).