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

C18H21N5O3 — CID 135910457

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C18H21N5O3/c24-17-13-4-1-2-5-15(13)23-16(20-17)12-14(21-23)18(25)19-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,19,25)(H,20,24)
InChIKeyRIIHWDADOJFDDN-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.63
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (PubChem CID 135910457) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
PubChem CID135910457
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C18H21N5O3/c24-17-13-4-1-2-5-15(13)23-16(20-17)12-14(21-23)18(25)19-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,19,25)(H,20,24)
InChIKeyRIIHWDADOJFDDN-UHFFFAOYSA-N
XLogP0.63
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
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-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (CID 135910457) is N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The InChIKey is RIIHWDADOJFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-17-13-4-1-2-5-15(13)23-16(20-17)12-14(21-23)18(25)19-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,19,25)(H,20,24).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is sourced from PubChem (CID 135910457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).