2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine

C26H34N4O4 — CID 14022379

IUPAC2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCCOC(C)(COC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)
InChIKeyIVTQCKMRNFHXKP-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.17
Rot. Bonds9

About 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 14022379) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID14022379
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCCOC(C)(COC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)
InChIKeyIVTQCKMRNFHXKP-UHFFFAOYSA-N
XLogP4.17
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 14022379) is 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is CCOC(C)(COC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is IVTQCKMRNFHXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29).
What are the key properties of 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 466.58 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-2-phenylpropoxy)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 14022379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).