[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

C22H32ClN5O3 — CID 45259834

IUPAC[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCOc1cc2nc(N3CCC(C(=O)N4CCCCC4C)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H31N5O3.ClH/c1-14-6-4-5-9-27(14)21(28)15-7-10-26(11-8-15)22-24-17-13-19(30-3)18(29-2)12-16(17)20(23)25-22;/h12-15H,4-11H2,1-3H3,(H2,23,24,25);1H
InChIKeyWZJVRABYEMQNGO-UHFFFAOYSA-N
MW449.98 g/mol
LogP3.27
Rot. Bonds4

About [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 45259834) has the molecular formula C22H32ClN5O3 and a molecular weight of 449.98 g/mol. Its IUPAC name is [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID45259834
Molecular FormulaC22H32ClN5O3
Molecular Weight449.98 g/mol
Exact Mass449.22
IUPAC Name[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCOc1cc2nc(N3CCC(C(=O)N4CCCCC4C)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H31N5O3.ClH/c1-14-6-4-5-9-27(14)21(28)15-7-10-26(11-8-15)22-24-17-13-19(30-3)18(29-2)12-16(17)20(23)25-22;/h12-15H,4-11H2,1-3H3,(H2,23,24,25);1H
InChIKeyWZJVRABYEMQNGO-UHFFFAOYSA-N
XLogP3.27
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(5S)-5-methyloxolan-2-yl]methanone
CID 72941989
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
CID 163462957
CID 163462957
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 3049505
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl] bicyclo[2.2.2]octa-2,5-diene-1-carboxylate
CID 11743796
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 45259834) is [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is COc1cc2nc(N3CCC(C(=O)N4CCCCC4C)CC3)nc(N)c2cc1OC.Cl.
What is the InChIKey of [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is WZJVRABYEMQNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3.ClH/c1-14-6-4-5-9-27(14)21(28)15-7-10-26(11-8-15)22-24-17-13-19(30-3)18(29-2)12-16(17)20(23)25-22;/h12-15H,4-11H2,1-3H3,(H2,23,24,25);1H.
What are the key properties of [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 449.98 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 45259834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).