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

C18H15N3S — CID 139062175

IUPAC(4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
SMILESc1ccc2c(c1)N[C@]1(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/t18-/m1/s1
InChIKeyNBCMTQMELXGQJS-GOSISDBHSA-N
MW305.41 g/mol
LogP4.17
Rot. Bonds

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

(4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] (PubChem CID 139062175) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline].

Molecular Properties

Compound Name(4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
PubChem CID139062175
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name(4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
SMILESc1ccc2c(c1)N[C@]1(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/t18-/m1/s1
InChIKeyNBCMTQMELXGQJS-GOSISDBHSA-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

Analyze (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] with MolForge

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Related Compounds

2-Methyl-5-(4-methylsulfanyl-phenyl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 655277
2-Methyl-5-(3-thiophenyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
CID 644536
2-Methyl-5-(3-methyl-thiophen-2-yl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 649026
2-Methyl-5-(2-thienyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158646
1-phenyl-4H-thiochromeno[3,4-d]pyrazole
CID 53699320
2,7-Dimethyl-5-(thiophen-3-YL)-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158755
2,7-Dimethyl-5-[4-(methylsulfanyl)phenyl]-5H,6H-pyrazolo[1,5-C]quinazoline
CID 4989408
2,7-Dimethyl-5-(2-thienyl)-5,6-dihydropyrazolo[1,5-C]quinazoline
CID 3158737
2,9-Dimethyl-5-[4-(methylthio)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3327818
spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]
CID 155808482
spiro[6H-pyrazolo[1,5-c]quinazoline-5,1'-cyclohexane]
CID 155809673
spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]
CID 155813176

Frequently Asked Questions

What is the IUPAC name of (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The IUPAC name of (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] (CID 139062175) is (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline].
What is the SMILES notation for (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The canonical SMILES for (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] is c1ccc2c(c1)N[C@]1(CCSc3ccccc31)n1nccc1-2.
What is the InChIKey of (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
The InChIKey is NBCMTQMELXGQJS-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline]?
(4R)-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 (4R)-spiro[2,3-dihydrothiochromene-4,5'-6H-pyrazolo[1,5-c]quinazoline] is sourced from PubChem (CID 139062175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).