butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate

C20H28N4O4 — CID 151565498

IUPACbutyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CCOc2cccc3[nH]c(=O)nc(N)c23)CC1
InChIInChI=1S/C20H28N4O4/c1-2-3-12-28-20(26)24-10-7-14(8-11-24)9-13-27-16-6-4-5-15-17(16)18(21)23-19(25)22-15/h4-6,14H,2-3,7-13H2,1H3,(H3,21,22,23,25)
InChIKeyQDIQCFFSDYICEH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.92
Rot. Bonds7

About butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate

butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate (PubChem CID 151565498) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate
PubChem CID151565498
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Namebutyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CCOc2cccc3[nH]c(=O)nc(N)c23)CC1
InChIInChI=1S/C20H28N4O4/c1-2-3-12-28-20(26)24-10-7-14(8-11-24)9-13-27-16-6-4-5-15-17(16)18(21)23-19(25)22-15/h4-6,14H,2-3,7-13H2,1H3,(H3,21,22,23,25)
InChIKeyQDIQCFFSDYICEH-UHFFFAOYSA-N
XLogP2.92
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.92
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 butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate (CID 151565498) is butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(CCOc2cccc3[nH]c(=O)nc(N)c23)CC1.
What is the InChIKey of butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate?
The InChIKey is QDIQCFFSDYICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-2-3-12-28-20(26)24-10-7-14(8-11-24)9-13-27-16-6-4-5-15-17(16)18(21)23-19(25)22-15/h4-6,14H,2-3,7-13H2,1H3,(H3,21,22,23,25).
What are the key properties of butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate?
butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 151565498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).