9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one

C14H8ClN3O2 — CID 135407340

IUPAC9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2cc(-c3ccco3)nn12
InChIInChI=1S/C14H8ClN3O2/c15-8-3-4-10-9(6-8)12-7-11(13-2-1-5-20-13)17-18(12)14(19)16-10/h1-7H,(H,16,19)
InChIKeyYGRCNDPWNGPHGR-UHFFFAOYSA-N
MW285.69 g/mol
LogP3.09
Rot. Bonds1

About 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one

9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one (PubChem CID 135407340) has the molecular formula C14H8ClN3O2 and a molecular weight of 285.69 g/mol. Its IUPAC name is 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one
PubChem CID135407340
Molecular FormulaC14H8ClN3O2
Molecular Weight285.69 g/mol
Exact Mass285.03
IUPAC Name9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2cc(-c3ccco3)nn12
InChIInChI=1S/C14H8ClN3O2/c15-8-3-4-10-9(6-8)12-7-11(13-2-1-5-20-13)17-18(12)14(19)16-10/h1-7H,(H,16,19)
InChIKeyYGRCNDPWNGPHGR-UHFFFAOYSA-N
XLogP3.09
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one (CID 135407340) is 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(Cl)cc2c2cc(-c3ccco3)nn12.
What is the InChIKey of 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The InChIKey is YGRCNDPWNGPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2/c15-8-3-4-10-9(6-8)12-7-11(13-2-1-5-20-13)17-18(12)14(19)16-10/h1-7H,(H,16,19).
What are the key properties of 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one has a molecular weight of 285.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(furan-2-yl)-6H-pyrazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135407340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).