N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C21H23ClN4O3 — CID 139912924

IUPACN-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)Nc1cc(Cl)cc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H23ClN4O3/c22-14-11-17-15-3-1-2-4-16(15)21(29)24-20(17)18(12-14)23-19(28)13-26-7-5-25(6-8-26)9-10-27/h1-4,11-12,27H,5-10,13H2,(H,23,28)(H,24,29)
InChIKeySVPLMOLVRRLUFM-UHFFFAOYSA-N
MW414.89 g/mol
LogP1.88
Rot. Bonds5

About N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 139912924) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID139912924
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)Nc1cc(Cl)cc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H23ClN4O3/c22-14-11-17-15-3-1-2-4-16(15)21(29)24-20(17)18(12-14)23-19(28)13-26-7-5-25(6-8-26)9-10-27/h1-4,11-12,27H,5-10,13H2,(H,23,28)(H,24,29)
InChIKeySVPLMOLVRRLUFM-UHFFFAOYSA-N
XLogP1.88
TPSA88.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 137275978
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(4-amino-2-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 43575163
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 139912924) is N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CCO)CC1)Nc1cc(Cl)cc2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is SVPLMOLVRRLUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-14-11-17-15-3-1-2-4-16(15)21(29)24-20(17)18(12-14)23-19(28)13-26-7-5-25(6-8-26)9-10-27/h1-4,11-12,27H,5-10,13H2,(H,23,28)(H,24,29).
What are the key properties of N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 414.89 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-oxo-5H-phenanthridin-4-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 139912924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).