N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide

C20H20ClN5O2 — CID 137275978

IUPACN-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c21-14-5-7-15(8-6-14)22-18(27)13-25-9-11-26(12-10-25)20-23-17-4-2-1-3-16(17)19(28)24-20/h1-8H,9-13H2,(H,22,27)(H,23,24,28)
InChIKeyXTHPZOZDOIZQOZ-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.34
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 137275978) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
PubChem CID137275978
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c21-14-5-7-15(8-6-14)22-18(27)13-25-9-11-26(12-10-25)20-23-17-4-2-1-3-16(17)19(28)24-20/h1-8H,9-13H2,(H,22,27)(H,23,24,28)
InChIKeyXTHPZOZDOIZQOZ-UHFFFAOYSA-N
XLogP2.34
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
ethyl 4-[[2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]acetyl]amino]benzoate
CID 86892491
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137261639
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 133451787
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 137275960
2-[4-(3-tert-butyl-5-chlorobenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543136
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide (CID 137275978) is N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XTHPZOZDOIZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-14-5-7-15(8-6-14)22-18(27)13-25-9-11-26(12-10-25)20-23-17-4-2-1-3-16(17)19(28)24-20/h1-8H,9-13H2,(H,22,27)(H,23,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 397.87 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 137275978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).