1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone

C19H15N5O4 — CID 46256210

IUPAC1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone
SMILESCOc1ccc2cc3c(N)nn(C(=O)Cc4ccc([N+](=O)[O-])cc4)c3nc2c1
InChIInChI=1S/C19H15N5O4/c1-28-14-7-4-12-9-15-18(20)22-23(19(15)21-16(12)10-14)17(25)8-11-2-5-13(6-3-11)24(26)27/h2-7,9-10H,8H2,1H3,(H2,20,22)
InChIKeyQZGUGXUAWFGMRH-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.97
Rot. Bonds4

About 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone

1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone (PubChem CID 46256210) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone
PubChem CID46256210
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone
SMILESCOc1ccc2cc3c(N)nn(C(=O)Cc4ccc([N+](=O)[O-])cc4)c3nc2c1
InChIInChI=1S/C19H15N5O4/c1-28-14-7-4-12-9-15-18(20)22-23(19(15)21-16(12)10-14)17(25)8-11-2-5-13(6-3-11)24(26)27/h2-7,9-10H,8H2,1H3,(H2,20,22)
InChIKeyQZGUGXUAWFGMRH-UHFFFAOYSA-N
XLogP2.97
TPSA126.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone (CID 46256210) is 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone is COc1ccc2cc3c(N)nn(C(=O)Cc4ccc([N+](=O)[O-])cc4)c3nc2c1.
What is the InChIKey of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone?
The InChIKey is QZGUGXUAWFGMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-28-14-7-4-12-9-15-18(20)22-23(19(15)21-16(12)10-14)17(25)8-11-2-5-13(6-3-11)24(26)27/h2-7,9-10H,8H2,1H3,(H2,20,22).
What are the key properties of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone?
1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone has a molecular weight of 377.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 46256210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).