N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C16H19N5O3 — CID 137049992

IUPACN-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOCCNCCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H19N5O3/c1-24-9-8-17-6-7-18-15(22)12-10-19-21-13-5-3-2-4-11(13)16(23)20-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,18,22)(H,20,23)
InChIKeyKDQCWGMEGXREKU-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.14
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 137049992) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID137049992
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOCCNCCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H19N5O3/c1-24-9-8-17-6-7-18-15(22)12-10-19-21-13-5-3-2-4-11(13)16(23)20-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,18,22)(H,20,23)
InChIKeyKDQCWGMEGXREKU-UHFFFAOYSA-N
XLogP0.14
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 137049992) is N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is COCCNCCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is KDQCWGMEGXREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-24-9-8-17-6-7-18-15(22)12-10-19-21-13-5-3-2-4-11(13)16(23)20-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 137049992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).