4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one

C20H16ClN3O2 — CID 123971962

IUPAC4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one
SMILESO=C1CCCC2=Nc3[nH]ncc3C(c3ccc(-c4cccc(Cl)c4)o3)C12
InChIInChI=1S/C20H16ClN3O2/c21-12-4-1-3-11(9-12)16-7-8-17(26-16)18-13-10-22-24-20(13)23-14-5-2-6-15(25)19(14)18/h1,3-4,7-10,18-19H,2,5-6H2,(H,22,24)
InChIKeyCOZXOHMHJOOYON-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.91
Rot. Bonds2

About 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one

4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one (PubChem CID 123971962) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one
PubChem CID123971962
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one
SMILESO=C1CCCC2=Nc3[nH]ncc3C(c3ccc(-c4cccc(Cl)c4)o3)C12
InChIInChI=1S/C20H16ClN3O2/c21-12-4-1-3-11(9-12)16-7-8-17(26-16)18-13-10-22-24-20(13)23-14-5-2-6-15(25)19(14)18/h1,3-4,7-10,18-19H,2,5-6H2,(H,22,24)
InChIKeyCOZXOHMHJOOYON-UHFFFAOYSA-N
XLogP4.91
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one?
The IUPAC name of 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one (CID 123971962) is 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one?
The canonical SMILES for 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one is O=C1CCCC2=Nc3[nH]ncc3C(c3ccc(-c4cccc(Cl)c4)o3)C12.
What is the InChIKey of 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one?
The InChIKey is COZXOHMHJOOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-12-4-1-3-11(9-12)16-7-8-17(26-16)18-13-10-22-24-20(13)23-14-5-2-6-15(25)19(14)18/h1,3-4,7-10,18-19H,2,5-6H2,(H,22,24).
What are the key properties of 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one?
4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one has a molecular weight of 365.82 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 123971962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).