6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine

C18H22N6O2 — CID 166215953

IUPAC6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4cn[nH]c4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C18H22N6O2/c1-25-15-7-13-14(8-16(15)26-2)22-18(23-17(13)19)24-5-3-11(4-6-24)12-9-20-21-10-12/h7-11H,3-6H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyBKBZYUZMKOWNMQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.34
Rot. Bonds4

About 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine

6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine (PubChem CID 166215953) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
PubChem CID166215953
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4cn[nH]c4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C18H22N6O2/c1-25-15-7-13-14(8-16(15)26-2)22-18(23-17(13)19)24-5-3-11(4-6-24)12-9-20-21-10-12/h7-11H,3-6H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyBKBZYUZMKOWNMQ-UHFFFAOYSA-N
XLogP2.34
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine
CID 166241664
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
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
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 133344447
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
CID 163462957
CID 163462957

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine (CID 166215953) is 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine is COc1cc2nc(N3CCC(c4cn[nH]c4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine?
The InChIKey is BKBZYUZMKOWNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-25-15-7-13-14(8-16(15)26-2)22-18(23-17(13)19)24-5-3-11(4-6-24)12-9-20-21-10-12/h7-11H,3-6H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine?
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 166215953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).