3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C16H10Cl2N4O — CID 135600016

IUPAC3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23)
InChIKeyNVDPKJPQHWIFMB-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.76
Rot. Bonds1

About 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135600016) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135600016
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23)
InChIKeyNVDPKJPQHWIFMB-UHFFFAOYSA-N
XLogP3.76
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939590
2-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 136123474
6-methyl-3-phenyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402914
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10f
CID 135402915
1-(3-Amino-4-chloro-phenyl)-3-methyl-1,9-dihydro-pyrazolo[3,4-b]quinolin-4-one
CID 135433912
1-(3-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136035299
1-(3-chlorophenyl)-3-phenyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136094192
1-(2,5-dichlorophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 168284791
1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 135455516
1-(4-chlorophenyl)-3-phenyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136094203
1-(3-Chlorophenyl)-3-methyl-4a,6,7,8,8a,9-hexahydropyrazolo[5,4-b]quinoline-4,5-dione
CID 4445367

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135600016) is 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is NVDPKJPQHWIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23).
What are the key properties of 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 345.19 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135600016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).