tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate

C19H25N3O5 — CID 172784029

IUPACtert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
SMILES[2H]C([2H])([2H])Oc1cc2nc[nH]c(=O)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)27-18(24)22-7-5-12(6-8-22)26-16-9-13-14(10-15(16)25-4)20-11-21-17(13)23/h9-12H,5-8H2,1-4H3,(H,20,21,23)/i4D3
InChIKeyOQGUBDQIQNINNZ-GKOSEXJESA-N
MW378.44 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate (PubChem CID 172784029) has the molecular formula C19H25N3O5 and a molecular weight of 378.44 g/mol. Its IUPAC name is tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
PubChem CID172784029
Molecular FormulaC19H25N3O5
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Nametert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
SMILES[2H]C([2H])([2H])Oc1cc2nc[nH]c(=O)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)27-18(24)22-7-5-12(6-8-22)26-16-9-13-14(10-15(16)25-4)20-11-21-17(13)23/h9-12H,5-8H2,1-4H3,(H,20,21,23)/i4D3
InChIKeyOQGUBDQIQNINNZ-GKOSEXJESA-N
XLogP2.71
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate
CID 164869876
tert-butyl (3S)-3-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-6-yl)oxy]pyrrolidine-1-carboxylate
CID 166538422
tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166066210
tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate
CID 22100795
tert-butyl 4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinolin-6-yl]oxypiperidine-1-carboxylate
CID 155669689
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]-7-piperidin-4-yloxyquinazoline
CID 161264566
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 3-[(4-oxo-3H-quinazolin-6-yl)amino]azetidine-1-carboxylate
CID 164870318
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
ethyl 7-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]heptanoate
CID 136597375
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate (CID 172784029) is tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate is [2H]C([2H])([2H])Oc1cc2nc[nH]c(=O)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate?
The InChIKey is OQGUBDQIQNINNZ-GKOSEXJESA-N. The full InChI is InChI=1S/C19H25N3O5/c1-19(2,3)27-18(24)22-7-5-12(6-8-22)26-16-9-13-14(10-15(16)25-4)20-11-21-17(13)23/h9-12H,5-8H2,1-4H3,(H,20,21,23)/i4D3.
What are the key properties of tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate has a molecular weight of 378.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 172784029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).