tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate

C18H24N4O3 — CID 137267489

IUPACtert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2nc3ccccc3c(=O)[nH]2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3/c1-12-11-21(9-10-22(12)17(24)25-18(2,3)4)16-19-14-8-6-5-7-13(14)15(23)20-16/h5-8,12H,9-11H2,1-4H3,(H,19,20,23)/t12-/m1/s1
InChIKeyHSQOBYLFSNOSDT-GFCCVEGCSA-N
MW344.42 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 137267489) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate
PubChem CID137267489
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2nc3ccccc3c(=O)[nH]2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3/c1-12-11-21(9-10-22(12)17(24)25-18(2,3)4)16-19-14-8-6-5-7-13(14)15(23)20-16/h5-8,12H,9-11H2,1-4H3,(H,19,20,23)/t12-/m1/s1
InChIKeyHSQOBYLFSNOSDT-GFCCVEGCSA-N
XLogP2.37
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate (CID 137267489) is tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate is C[C@@H]1CN(c2nc3ccccc3c(=O)[nH]2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is HSQOBYLFSNOSDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-11-21(9-10-22(12)17(24)25-18(2,3)4)16-19-14-8-6-5-7-13(14)15(23)20-16/h5-8,12H,9-11H2,1-4H3,(H,19,20,23)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 137267489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).