4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

C18H16BrN5O3 — CID 171485976

IUPAC4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCON(Cc1ccc(Br)o1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C18H16BrN5O3/c1-23-16-12-7-10(3-5-14(12)22-17(20)13(16)8-21-23)18(25)24(26-2)9-11-4-6-15(19)27-11/h3-8H,9H2,1-2H3,(H2,20,22)
InChIKeyTWIJNGJXTQLWNX-UHFFFAOYSA-N
MW430.26 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171485976) has the molecular formula C18H16BrN5O3 and a molecular weight of 430.26 g/mol. Its IUPAC name is 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID171485976
Molecular FormulaC18H16BrN5O3
Molecular Weight430.26 g/mol
Exact Mass429.04
IUPAC Name4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCON(Cc1ccc(Br)o1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C18H16BrN5O3/c1-23-16-12-7-10(3-5-14(12)22-17(20)13(16)8-21-23)18(25)24(26-2)9-11-4-6-15(19)27-11/h3-8H,9H2,1-2H3,(H2,20,22)
InChIKeyTWIJNGJXTQLWNX-UHFFFAOYSA-N
XLogP3.26
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4-chloro-3-methoxyphenyl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 171485997
4-amino-N-[(2-bromo-4-fluorophenyl)methyl]-N-ethoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 171485965
4-amino-N-[(E)-3-chloroprop-2-enoxy]-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 171485958
N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823292
4-amino-N-(7-bromo-3,4-dihydro-1H-isochromen-4-yl)-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867177
N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 175977938
4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
N'-acetyl-4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823032
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387
4-amino-N-cyclopropyl-N-[[5-[2-(3-methoxyoxetan-3-yl)ethynyl]-2-pyridinyl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555264
4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867164
N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823036

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (CID 171485976) is 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is CON(Cc1ccc(Br)o1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.
What is the InChIKey of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is TWIJNGJXTQLWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O3/c1-23-16-12-7-10(3-5-14(12)22-17(20)13(16)8-21-23)18(25)24(26-2)9-11-4-6-15(19)27-11/h3-8H,9H2,1-2H3,(H2,20,22).
What are the key properties of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171485976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).