2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

C21H29N5O2 — CID 133344447

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(C4CC5CCC4C5)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H29N5O2/c1-27-18-11-15-16(12-19(18)28-2)23-21(24-20(15)22)26-7-5-25(6-8-26)17-10-13-3-4-14(17)9-13/h11-14,17H,3-10H2,1-2H3,(H2,22,23,24)
InChIKeyQOMYCLKTRWRXJD-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 133344447) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID133344447
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(C4CC5CCC4C5)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H29N5O2/c1-27-18-11-15-16(12-19(18)28-2)23-21(24-20(15)22)26-7-5-25(6-8-26)17-10-13-3-4-14(17)9-13/h11-14,17H,3-10H2,1-2H3,(H2,22,23,24)
InChIKeyQOMYCLKTRWRXJD-UHFFFAOYSA-N
XLogP2.54
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine with MolForge

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
CID 163462957
CID 163462957
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 133344447) is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCN(C4CC5CCC4C5)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is QOMYCLKTRWRXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-27-18-11-15-16(12-19(18)28-2)23-21(24-20(15)22)26-7-5-25(6-8-26)17-10-13-3-4-14(17)9-13/h11-14,17H,3-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 133344447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).