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

C17H25N5O2 — CID 3031652

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(N(C)C)CC3)nc(N)c2cc1OC
InChIInChI=1S/C17H25N5O2/c1-21(2)11-5-7-22(8-6-11)17-19-13-10-15(24-4)14(23-3)9-12(13)16(18)20-17/h9-11H,5-8H2,1-4H3,(H2,18,19,20)
InChIKeyZKOFLFLVWMUYDN-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds4

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

2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 3031652) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID3031652
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(N(C)C)CC3)nc(N)c2cc1OC
InChIInChI=1S/C17H25N5O2/c1-21(2)11-5-7-22(8-6-11)17-19-13-10-15(24-4)14(23-3)9-12(13)16(18)20-17/h9-11H,5-8H2,1-4H3,(H2,18,19,20)
InChIKeyZKOFLFLVWMUYDN-UHFFFAOYSA-N
XLogP1.76
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 3049505
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
CID 163462957
CID 163462957
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 3031652) is 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCC(N(C)C)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is ZKOFLFLVWMUYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-21(2)11-5-7-22(8-6-11)17-19-13-10-15(24-4)14(23-3)9-12(13)16(18)20-17/h9-11H,5-8H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 3031652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).