(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one

C21H18N4O2 — CID 46257059

IUPAC(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)/C(C)=C\c1ccccc1
InChIInChI=1S/C21H18N4O2/c1-13(10-14-6-4-3-5-7-14)21(26)25-20-17(19(22)24-25)12-15-11-16(27-2)8-9-18(15)23-20/h3-12H,1-2H3,(H2,22,24)/b13-10-
InChIKeyVGRGQXXVLIDLDE-RAXLEYEMSA-N
MW358.40 g/mol
LogP3.92
Rot. Bonds3

About (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one

(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one (PubChem CID 46257059) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
PubChem CID46257059
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)/C(C)=C\c1ccccc1
InChIInChI=1S/C21H18N4O2/c1-13(10-14-6-4-3-5-7-14)21(26)25-20-17(19(22)24-25)12-15-11-16(27-2)8-9-18(15)23-20/h3-12H,1-2H3,(H2,22,24)/b13-10-
InChIKeyVGRGQXXVLIDLDE-RAXLEYEMSA-N
XLogP3.92
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one with MolForge

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Related Compounds

(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-(2-nitrophenyl)methanone
CID 126458405
1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one
CID 20867907
6-methoxy-1-methylpyrazolo[5,4-b]quinoline-3-carboxamide
CID 14822502
1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(4-nitrophenyl)ethanone
CID 46256210
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 890141
(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone
CID 6622846
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 54157071
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
CID 103090788
4-amino-6-methoxyquinazoline-2-carboxylic acid
CID 105473523
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one (CID 46257059) is (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one is COc1ccc2nc3c(cc2c1)c(N)nn3C(=O)/C(C)=C\c1ccccc1.
What is the InChIKey of (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The InChIKey is VGRGQXXVLIDLDE-RAXLEYEMSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13(10-14-6-4-3-5-7-14)21(26)25-20-17(19(22)24-25)12-15-11-16(27-2)8-9-18(15)23-20/h3-12H,1-2H3,(H2,22,24)/b13-10-.
What are the key properties of (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
(Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one has a molecular weight of 358.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-methyl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 46257059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).