4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C26H34N6O — CID 155976485

IUPAC4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESC(#CCN1CCN(c2ccccn2)CC1)COC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C26H34N6O/c1-2-8-24-23(7-1)26(29-21-28-24)32-14-10-22(11-15-32)33-20-6-5-13-30-16-18-31(19-17-30)25-9-3-4-12-27-25/h3-4,9,12,21-22H,1-2,7-8,10-11,13-20H2
InChIKeyBPDQHKZCPPESRT-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.56
Rot. Bonds5

About 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 155976485) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID155976485
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESC(#CCN1CCN(c2ccccn2)CC1)COC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C26H34N6O/c1-2-8-24-23(7-1)26(29-21-28-24)32-14-10-22(11-15-32)33-20-6-5-13-30-16-18-31(19-17-30)25-9-3-4-12-27-25/h3-4,9,12,21-22H,1-2,7-8,10-11,13-20H2
InChIKeyBPDQHKZCPPESRT-UHFFFAOYSA-N
XLogP2.56
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 155981598
4-methyl-2-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-1,3-thiazole
CID 155976206
4,5-dimethyl-6-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 155976322
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyethanamine
CID 82692403
2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 82688762
4-ethyl-5-fluoro-6-[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 146079500
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 126853561
3-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 146074633
4,5-dimethyl-6-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 154853817
2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 133448541
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
2-methyl-3-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoxaline
CID 154853728

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 155976485) is 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is C(#CCN1CCN(c2ccccn2)CC1)COC1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is BPDQHKZCPPESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-2-8-24-23(7-1)26(29-21-28-24)32-14-10-22(11-15-32)33-20-6-5-13-30-16-18-31(19-17-30)25-9-3-4-12-27-25/h3-4,9,12,21-22H,1-2,7-8,10-11,13-20H2.
What are the key properties of 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 446.60 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 155976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).