4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide

C23H25N5O4 — CID 135600007

IUPAC4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12
InChIInChI=1S/C23H25N5O4/c1-13-7-4-5-8-16(13)28-22(24)20-21(27-28)19-15(26-23(20)30)11-14(31-3)12-17(19)32-10-6-9-18(29)25-2/h4-5,7-8,11-12H,6,9-10,24H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyCCYNRECBYFVEQQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.67
Rot. Bonds7

About 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide

4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide (PubChem CID 135600007) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
PubChem CID135600007
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12
InChIInChI=1S/C23H25N5O4/c1-13-7-4-5-8-16(13)28-22(24)20-21(27-28)19-15(26-23(20)30)11-14(31-3)12-17(19)32-10-6-9-18(29)25-2/h4-5,7-8,11-12H,6,9-10,24H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyCCYNRECBYFVEQQ-UHFFFAOYSA-N
XLogP2.67
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide?
The IUPAC name of 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide (CID 135600007) is 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide.
What is the SMILES notation for 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide?
The canonical SMILES for 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide is CNC(=O)CCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12.
What is the InChIKey of 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide?
The InChIKey is CCYNRECBYFVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-13-7-4-5-8-16(13)28-22(24)20-21(27-28)19-15(26-23(20)30)11-14(31-3)12-17(19)32-10-6-9-18(29)25-2/h4-5,7-8,11-12H,6,9-10,24H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide?
4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide has a molecular weight of 435.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide is sourced from PubChem (CID 135600007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).