2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide

C17H19N7O — CID 174150835

IUPAC2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide
SMILES[H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1cn(CC(=O)N(C)C)nc12
InChIInChI=1S/C17H19N7O/c1-23(2)15(25)9-24-8-12-16(22-24)11-4-3-10(13(19)5-6-18)7-14(11)21-17(12)20/h3-8,18H,9,19H2,1-2H3,(H2,20,21)/b13-5?,18-6+
InChIKeyKRVWBKDMAKOAST-FJTXNWGFSA-N
MW337.39 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide

2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide (PubChem CID 174150835) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide
PubChem CID174150835
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide
SMILES[H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1cn(CC(=O)N(C)C)nc12
InChIInChI=1S/C17H19N7O/c1-23(2)15(25)9-24-8-12-16(22-24)11-4-3-10(13(19)5-6-18)7-14(11)21-17(12)20/h3-8,18H,9,19H2,1-2H3,(H2,20,21)/b13-5?,18-6+
InChIKeyKRVWBKDMAKOAST-FJTXNWGFSA-N
XLogP1.20
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide (CID 174150835) is 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide is [H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1cn(CC(=O)N(C)C)nc12.
What is the InChIKey of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide?
The InChIKey is KRVWBKDMAKOAST-FJTXNWGFSA-N. The full InChI is InChI=1S/C17H19N7O/c1-23(2)15(25)9-24-8-12-16(22-24)11-4-3-10(13(19)5-6-18)7-14(11)21-17(12)20/h3-8,18H,9,19H2,1-2H3,(H2,20,21)/b13-5?,18-6+.
What are the key properties of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide?
2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide has a molecular weight of 337.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 174150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).