(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate

C19H27N5O5 — CID 12920026

IUPAC(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c1OC
InChIInChI=1S/C19H27N5O5/c1-19(2,26)11-29-18(25)24-9-7-23(8-10-24)17-21-14-12(16(20)22-17)5-6-13(27-3)15(14)28-4/h5-6,26H,7-11H2,1-4H3,(H2,20,21,22)
InChIKeyIWTHSAOSEGGFNX-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.26
Rot. Bonds5

About (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate

(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 12920026) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
PubChem CID12920026
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c1OC
InChIInChI=1S/C19H27N5O5/c1-19(2,26)11-29-18(25)24-9-7-23(8-10-24)17-21-14-12(16(20)22-17)5-6-13(27-3)15(14)28-4/h5-6,26H,7-11H2,1-4H3,(H2,20,21,22)
InChIKeyIWTHSAOSEGGFNX-UHFFFAOYSA-N
XLogP1.26
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate (CID 12920026) is (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate is COc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c1OC.
What is the InChIKey of (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is IWTHSAOSEGGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-19(2,26)11-29-18(25)24-9-7-23(8-10-24)17-21-14-12(16(20)22-17)5-6-13(27-3)15(14)28-4/h5-6,26H,7-11H2,1-4H3,(H2,20,21,22).
What are the key properties of (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 405.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 12920026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).