3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one

C16H11N5O4 — CID 135599930

IUPAC3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2nn1-c1cccc(O)c1
InChIInChI=1S/C16H11N5O4/c17-15-13-14(19-20(15)8-2-1-3-10(22)6-8)11-5-4-9(21(24)25)7-12(11)18-16(13)23/h1-7,22H,17H2,(H,18,23)
InChIKeyFYXXJPKHFZGCQL-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.06
Rot. Bonds2

About 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599930) has the molecular formula C16H11N5O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599930
Molecular FormulaC16H11N5O4
Molecular Weight337.30 g/mol
Exact Mass337.08
IUPAC Name3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2nn1-c1cccc(O)c1
InChIInChI=1S/C16H11N5O4/c17-15-13-14(19-20(15)8-2-1-3-10(22)6-8)11-5-4-9(21(24)25)7-12(11)18-16(13)23/h1-7,22H,17H2,(H,18,23)
InChIKeyFYXXJPKHFZGCQL-UHFFFAOYSA-N
XLogP2.06
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599930) is 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2nn1-c1cccc(O)c1.
What is the InChIKey of 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is FYXXJPKHFZGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O4/c17-15-13-14(19-20(15)8-2-1-3-10(22)6-8)11-5-4-9(21(24)25)7-12(11)18-16(13)23/h1-7,22H,17H2,(H,18,23).
What are the key properties of 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 337.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).