(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone

C18H13N5O4 — CID 126458405

IUPAC(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N5O4/c1-27-11-6-7-14-10(8-11)9-13-16(19)21-22(17(13)20-14)18(24)12-4-2-3-5-15(12)23(25)26/h2-9H,1H3,(H2,19,21)
InChIKeyRBHNLGVTFQSMII-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.77
Rot. Bonds3

About (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone

(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone (PubChem CID 126458405) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone
PubChem CID126458405
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N5O4/c1-27-11-6-7-14-10(8-11)9-13-16(19)21-22(17(13)20-14)18(24)12-4-2-3-5-15(12)23(25)26/h2-9H,1H3,(H2,19,21)
InChIKeyRBHNLGVTFQSMII-UHFFFAOYSA-N
XLogP2.77
TPSA126.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.77
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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Related Compounds

(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 46257059
[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 3943930
6-methoxy-1-methylpyrazolo[5,4-b]quinoline-3-carboxamide
CID 14822502
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate
CID 45485589
(E)-3-(2,5-dimethoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561012
N-[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 20590574
2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethylazanium
CID 7507376
5-amino-2-(2-nitrobenzoyl)-1,2,4-thiadiazol-3-one
CID 10754201
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone
CID 6622846
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-nitrobenzoate
CID 9454687

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone?
The IUPAC name of (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone (CID 126458405) is (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone.
What is the SMILES notation for (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone?
The canonical SMILES for (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone is COc1ccc2nc3c(cc2c1)c(N)nn3C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone?
The InChIKey is RBHNLGVTFQSMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c1-27-11-6-7-14-10(8-11)9-13-16(19)21-22(17(13)20-14)18(24)12-4-2-3-5-15(12)23(25)26/h2-9H,1H3,(H2,19,21).
What are the key properties of (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone?
(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone has a molecular weight of 363.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 126458405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).