2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

C22H27ClN4O2 — CID 45259798

IUPAC2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-27-19-13-17-18(14-20(19)28-2)24-22(25-21(17)23)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15;/h3-7,13-14,16H,8-12H2,1-2H3,(H2,23,24,25);1H
InChIKeyCQTUAHSXLRFFSN-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 45259798) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID45259798
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-27-19-13-17-18(14-20(19)28-2)24-22(25-21(17)23)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15;/h3-7,13-14,16H,8-12H2,1-2H3,(H2,23,24,25);1H
InChIKeyCQTUAHSXLRFFSN-UHFFFAOYSA-N
XLogP4.11
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 45259798) is 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2cc1OC.Cl.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is CQTUAHSXLRFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-27-19-13-17-18(14-20(19)28-2)24-22(25-21(17)23)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15;/h3-7,13-14,16H,8-12H2,1-2H3,(H2,23,24,25);1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 45259798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).