tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate

C19H25N3O3 — CID 166066269

IUPACtert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
SMILESCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-12-20-16-6-5-14(11-15(16)17(23)21-12)13-7-9-22(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyWWZOMKXNSQEGBT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.35
Rot. Bonds1

About tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate (PubChem CID 166066269) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
PubChem CID166066269
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
SMILESCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-12-20-16-6-5-14(11-15(16)17(23)21-12)13-7-9-22(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyWWZOMKXNSQEGBT-UHFFFAOYSA-N
XLogP3.35
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate (CID 166066269) is tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate is Cc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(=O)[nH]1.
What is the InChIKey of tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate?
The InChIKey is WWZOMKXNSQEGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-20-16-6-5-14(11-15(16)17(23)21-12)13-7-9-22(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21,23).
What are the key properties of tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166066269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).