4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide

C23H21N5O2 — CID 162632263

IUPAC4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
SMILESCc1ccc2cccc(OCCNC(=O)c3ccc(-c4cncc(N)n4)cc3)c2n1
InChIInChI=1S/C23H21N5O2/c1-15-5-6-17-3-2-4-20(22(17)27-15)30-12-11-26-23(29)18-9-7-16(8-10-18)19-13-25-14-21(24)28-19/h2-10,13-14H,11-12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyUOLJHAJFQHBXKW-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.39
Rot. Bonds6

About 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide

4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide (PubChem CID 162632263) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
PubChem CID162632263
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
SMILESCc1ccc2cccc(OCCNC(=O)c3ccc(-c4cncc(N)n4)cc3)c2n1
InChIInChI=1S/C23H21N5O2/c1-15-5-6-17-3-2-4-20(22(17)27-15)30-12-11-26-23(29)18-9-7-16(8-10-18)19-13-25-14-21(24)28-19/h2-10,13-14H,11-12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyUOLJHAJFQHBXKW-UHFFFAOYSA-N
XLogP3.39
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70782828
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 74242121
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74243480
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
CID 170504165
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide?
The IUPAC name of 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide (CID 162632263) is 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide.
What is the SMILES notation for 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide?
The canonical SMILES for 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide is Cc1ccc2cccc(OCCNC(=O)c3ccc(-c4cncc(N)n4)cc3)c2n1.
What is the InChIKey of 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide?
The InChIKey is UOLJHAJFQHBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-5-6-17-3-2-4-20(22(17)27-15)30-12-11-26-23(29)18-9-7-16(8-10-18)19-13-25-14-21(24)28-19/h2-10,13-14H,11-12H2,1H3,(H2,24,28)(H,26,29).
What are the key properties of 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide?
4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide is sourced from PubChem (CID 162632263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).