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

C16H11ClN4O2 — CID 135458167

IUPAC3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C16H11ClN4O2/c17-10-6-5-8(22)7-12(10)21-15(18)13-14(20-21)9-3-1-2-4-11(9)19-16(13)23/h1-7,22H,18H2,(H,19,23)
InChIKeyYFEKNSXFRZFZSM-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.81
Rot. Bonds1

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

3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135458167) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135458167
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C16H11ClN4O2/c17-10-6-5-8(22)7-12(10)21-15(18)13-14(20-21)9-3-1-2-4-11(9)19-16(13)23/h1-7,22H,18H2,(H,19,23)
InChIKeyYFEKNSXFRZFZSM-UHFFFAOYSA-N
XLogP2.81
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135458167) is 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(O)ccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is YFEKNSXFRZFZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-10-6-5-8(22)7-12(10)21-15(18)13-14(20-21)9-3-1-2-4-11(9)19-16(13)23/h1-7,22H,18H2,(H,19,23).
What are the key properties of 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 326.74 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-hydroxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135458167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).