2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine

C22H26N4O3 — CID 166190492

IUPAC2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc(OC)c(C2CCN(c3nc(N)c4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-27-15-12-18(28-2)20(19(13-15)29-3)14-8-10-26(11-9-14)22-24-17-7-5-4-6-16(17)21(23)25-22/h4-7,12-14H,8-11H2,1-3H3,(H2,23,24,25)
InChIKeyMDCMMTLAAPMBQM-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.62
Rot. Bonds5

About 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine

2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine (PubChem CID 166190492) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
PubChem CID166190492
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc(OC)c(C2CCN(c3nc(N)c4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-27-15-12-18(28-2)20(19(13-15)29-3)14-8-10-26(11-9-14)22-24-17-7-5-4-6-16(17)21(23)25-22/h4-7,12-14H,8-11H2,1-3H3,(H2,23,24,25)
InChIKeyMDCMMTLAAPMBQM-UHFFFAOYSA-N
XLogP3.62
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine (CID 166190492) is 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine is COc1cc(OC)c(C2CCN(c3nc(N)c4ccccc4n3)CC2)c(OC)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine?
The InChIKey is MDCMMTLAAPMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-15-12-18(28-2)20(19(13-15)29-3)14-8-10-26(11-9-14)22-24-17-7-5-4-6-16(17)21(23)25-22/h4-7,12-14H,8-11H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine?
2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 166190492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).