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

C17H20N6O3 — CID 43819250

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1n[nH]n2c1nc(=O)c1ccccc12
InChIInChI=1S/C17H20N6O3/c24-16-12-4-1-2-5-13(12)23-15(19-16)14(20-21-23)17(25)18-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,21H,3,6-11H2,(H,18,25)
InChIKeyCBWDETMTWOBPPL-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.02
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 43819250) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID43819250
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1n[nH]n2c1nc(=O)c1ccccc12
InChIInChI=1S/C17H20N6O3/c24-16-12-4-1-2-5-13(12)23-15(19-16)14(20-21-23)17(25)18-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,21H,3,6-11H2,(H,18,25)
InChIKeyCBWDETMTWOBPPL-UHFFFAOYSA-N
XLogP0.02
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
CID 175830927
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (CID 43819250) is N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCCCN1CCOCC1)c1n[nH]n2c1nc(=O)c1ccccc12.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is CBWDETMTWOBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c24-16-12-4-1-2-5-13(12)23-15(19-16)14(20-21-23)17(25)18-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,21H,3,6-11H2,(H,18,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 43819250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).