3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C20H14ClN3O2 — CID 66503780

IUPAC3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccco2)Cc2nc3c(-c4cccc(Cl)c4)cnn3cc21
InChIInChI=1S/C20H14ClN3O2/c21-14-4-1-3-12(7-14)15-10-22-24-11-16-17(23-20(15)24)8-13(9-18(16)25)19-5-2-6-26-19/h1-7,10-11,13H,8-9H2
InChIKeyXVNAABOYZVNOHQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.56
Rot. Bonds2

About 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503780) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503780
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccco2)Cc2nc3c(-c4cccc(Cl)c4)cnn3cc21
InChIInChI=1S/C20H14ClN3O2/c21-14-4-1-3-12(7-14)15-10-22-24-11-16-17(23-20(15)24)8-13(9-18(16)25)19-5-2-6-26-19/h1-7,10-11,13H,8-9H2
InChIKeyXVNAABOYZVNOHQ-UHFFFAOYSA-N
XLogP4.56
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-yl)-2-(methoxymethyl)-3-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503779
6-(4-chlorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503579
3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503966
3-(3-chlorophenyl)-2-(methoxymethyl)-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504133
3-(3-chlorophenyl)-2-ethyl-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504132
7-(furan-2-yl)-4-phenyl-7,8-dihydro-6H-quinolin-5-one
CID 17079240
(6R,9S)-9-(3-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135766782
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(furan-2-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168727
6-(3-chlorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503931
6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503569
3-(4-bromophenyl)-6-(3-chlorophenyl)-2-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503915
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503780) is 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CC(c2ccco2)Cc2nc3c(-c4cccc(Cl)c4)cnn3cc21.
What is the InChIKey of 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is XVNAABOYZVNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-14-4-1-3-12(7-14)15-10-22-24-11-16-17(23-20(15)24)8-13(9-18(16)25)19-5-2-6-26-19/h1-7,10-11,13H,8-9H2.
What are the key properties of 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 363.80 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).