2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

C20H24ClN5O — CID 139801600

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ncnc2c1CCCC2
InChIInChI=1S/C20H24ClN5O/c21-15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-19(27)24-20-17-6-1-2-7-18(17)22-14-23-20/h3-5,12,14H,1-2,6-11,13H2,(H,22,23,24,27)
InChIKeyJIGWAAMIIBYOQJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (PubChem CID 139801600) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
PubChem CID139801600
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ncnc2c1CCCC2
InChIInChI=1S/C20H24ClN5O/c21-15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-19(27)24-20-17-6-1-2-7-18(17)22-14-23-20/h3-5,12,14H,1-2,6-11,13H2,(H,22,23,24,27)
InChIKeyJIGWAAMIIBYOQJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
CID 139801399
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1443705
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (CID 139801600) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ncnc2c1CCCC2.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The InChIKey is JIGWAAMIIBYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-19(27)24-20-17-6-1-2-7-18(17)22-14-23-20/h3-5,12,14H,1-2,6-11,13H2,(H,22,23,24,27).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide has a molecular weight of 385.90 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is sourced from PubChem (CID 139801600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).