2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine

C27H28N4O2 — CID 10503257

IUPAC2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4ccccc4)(c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C27H28N4O2/c1-32-23-17-21-22(18-24(23)33-2)29-26(30-25(21)28)31-15-13-27(14-16-31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H2,28,29,30)
InChIKeyAZNDJFDHVWENRU-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.82
Rot. Bonds5

About 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine

2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 10503257) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID10503257
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4ccccc4)(c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C27H28N4O2/c1-32-23-17-21-22(18-24(23)33-2)29-26(30-25(21)28)31-15-13-27(14-16-31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H2,28,29,30)
InChIKeyAZNDJFDHVWENRU-UHFFFAOYSA-N
XLogP4.82
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine (CID 10503257) is 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCC(c4ccccc4)(c4ccccc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is AZNDJFDHVWENRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-32-23-17-21-22(18-24(23)33-2)29-26(30-25(21)28)31-15-13-27(14-16-31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H2,28,29,30).
What are the key properties of 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 440.55 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diphenylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 10503257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).